data_18399 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18399 _Entry.Title ; Solution structure of a ubiquitin-like protein from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-13 _Entry.Accession_date 2012-04-13 _Entry.Last_release_date 2013-04-22 _Entry.Original_release_date 2013-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rui Wang . . . 18399 2 Tao Wang . . . 18399 3 Shanhui Liao . . . 18399 4 Jiahai Zhang . . . 18399 5 Xiaoming Tu . . . 18399 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18399 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 18399 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18399 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 18399 '15N chemical shifts' 77 18399 '1H chemical shifts' 447 18399 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-04-22 2012-04-13 original author . 18399 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRW 'BMRB Entry Tracking System' 18399 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18399 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of a ubiqutin-like protein from Trypanosoma bucei' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rui Wang . . . 18399 1 2 Shanhui Liao . . . 18399 1 3 Tao Wang . . . 18399 1 4 Jiahai Zhang . . . 18399 1 5 Xiaoming Tu . . . 18399 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18399 _Assembly.ID 1 _Assembly.Name 'ubiqutin-like protein from Trypanosoma bucei' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ubiqutin-like protein from Trypanosoma bucei' 1 $tbubl A . yes native no no . . . 18399 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tbubl _Entity.Sf_category entity _Entity.Sf_framecode tbubl _Entity.Entry_ID 18399 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHMLLKVKTVSNKVIQ ITSLTDDNTIAELKGKLEES EGIPGNMIRLVYQGKQLEDE KRLKDYQMSAGATFHMVVAL RAGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8680.189 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LRW . "Solution Structure Of A Ubiquitin-like Protein From Trypanosoma Brucei" . . . . . 100.00 84 100.00 100.00 9.77e-54 . . . . 18399 1 2 no EMBL CBH10548 . "ubiquitin, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 92.86 78 100.00 100.00 9.51e-49 . . . . 18399 1 3 no GB AAX79072 . "ubiquitin, putative [Trypanosoma brucei]" . . . . . 92.86 78 100.00 100.00 9.51e-49 . . . . 18399 1 4 no GB AAZ10845 . "ubiquitin, putative [Trypanosoma brucei brucei TREU927]" . . . . . 92.86 78 100.00 100.00 9.51e-49 . . . . 18399 1 5 no REF XP_011772837 . "ubiquitin, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 92.86 78 100.00 100.00 9.51e-49 . . . . 18399 1 6 no REF XP_844404 . "ubiquitin [Trypanosoma brucei brucei TREU927]" . . . . . 92.86 78 100.00 100.00 9.51e-49 . . . . 18399 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 HIS . 18399 1 2 -4 HIS . 18399 1 3 -3 HIS . 18399 1 4 -2 HIS . 18399 1 5 -1 HIS . 18399 1 6 0 HIS . 18399 1 7 1 MET . 18399 1 8 2 LEU . 18399 1 9 3 LEU . 18399 1 10 4 LYS . 18399 1 11 5 VAL . 18399 1 12 6 LYS . 18399 1 13 7 THR . 18399 1 14 8 VAL . 18399 1 15 9 SER . 18399 1 16 10 ASN . 18399 1 17 11 LYS . 18399 1 18 12 VAL . 18399 1 19 13 ILE . 18399 1 20 14 GLN . 18399 1 21 15 ILE . 18399 1 22 16 THR . 18399 1 23 17 SER . 18399 1 24 18 LEU . 18399 1 25 19 THR . 18399 1 26 20 ASP . 18399 1 27 21 ASP . 18399 1 28 22 ASN . 18399 1 29 23 THR . 18399 1 30 24 ILE . 18399 1 31 25 ALA . 18399 1 32 26 GLU . 18399 1 33 27 LEU . 18399 1 34 28 LYS . 18399 1 35 29 GLY . 18399 1 36 30 LYS . 18399 1 37 31 LEU . 18399 1 38 32 GLU . 18399 1 39 33 GLU . 18399 1 40 34 SER . 18399 1 41 35 GLU . 18399 1 42 36 GLY . 18399 1 43 37 ILE . 18399 1 44 38 PRO . 18399 1 45 39 GLY . 18399 1 46 40 ASN . 18399 1 47 41 MET . 18399 1 48 42 ILE . 18399 1 49 43 ARG . 18399 1 50 44 LEU . 18399 1 51 45 VAL . 18399 1 52 46 TYR . 18399 1 53 47 GLN . 18399 1 54 48 GLY . 18399 1 55 49 LYS . 18399 1 56 50 GLN . 18399 1 57 51 LEU . 18399 1 58 52 GLU . 18399 1 59 53 ASP . 18399 1 60 54 GLU . 18399 1 61 55 LYS . 18399 1 62 56 ARG . 18399 1 63 57 LEU . 18399 1 64 58 LYS . 18399 1 65 59 ASP . 18399 1 66 60 TYR . 18399 1 67 61 GLN . 18399 1 68 62 MET . 18399 1 69 63 SER . 18399 1 70 64 ALA . 18399 1 71 65 GLY . 18399 1 72 66 ALA . 18399 1 73 67 THR . 18399 1 74 68 PHE . 18399 1 75 69 HIS . 18399 1 76 70 MET . 18399 1 77 71 VAL . 18399 1 78 72 VAL . 18399 1 79 73 ALA . 18399 1 80 74 LEU . 18399 1 81 75 ARG . 18399 1 82 76 ALA . 18399 1 83 77 GLY . 18399 1 84 78 CYS . 18399 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . HIS 1 1 18399 1 . HIS 2 2 18399 1 . HIS 3 3 18399 1 . HIS 4 4 18399 1 . HIS 5 5 18399 1 . HIS 6 6 18399 1 . MET 7 7 18399 1 . LEU 8 8 18399 1 . LEU 9 9 18399 1 . LYS 10 10 18399 1 . VAL 11 11 18399 1 . LYS 12 12 18399 1 . THR 13 13 18399 1 . VAL 14 14 18399 1 . SER 15 15 18399 1 . ASN 16 16 18399 1 . LYS 17 17 18399 1 . VAL 18 18 18399 1 . ILE 19 19 18399 1 . GLN 20 20 18399 1 . ILE 21 21 18399 1 . THR 22 22 18399 1 . SER 23 23 18399 1 . LEU 24 24 18399 1 . THR 25 25 18399 1 . ASP 26 26 18399 1 . ASP 27 27 18399 1 . ASN 28 28 18399 1 . THR 29 29 18399 1 . ILE 30 30 18399 1 . ALA 31 31 18399 1 . GLU 32 32 18399 1 . LEU 33 33 18399 1 . LYS 34 34 18399 1 . GLY 35 35 18399 1 . LYS 36 36 18399 1 . LEU 37 37 18399 1 . GLU 38 38 18399 1 . GLU 39 39 18399 1 . SER 40 40 18399 1 . GLU 41 41 18399 1 . GLY 42 42 18399 1 . ILE 43 43 18399 1 . PRO 44 44 18399 1 . GLY 45 45 18399 1 . ASN 46 46 18399 1 . MET 47 47 18399 1 . ILE 48 48 18399 1 . ARG 49 49 18399 1 . LEU 50 50 18399 1 . VAL 51 51 18399 1 . TYR 52 52 18399 1 . GLN 53 53 18399 1 . GLY 54 54 18399 1 . LYS 55 55 18399 1 . GLN 56 56 18399 1 . LEU 57 57 18399 1 . GLU 58 58 18399 1 . ASP 59 59 18399 1 . GLU 60 60 18399 1 . LYS 61 61 18399 1 . ARG 62 62 18399 1 . LEU 63 63 18399 1 . LYS 64 64 18399 1 . ASP 65 65 18399 1 . TYR 66 66 18399 1 . GLN 67 67 18399 1 . MET 68 68 18399 1 . SER 69 69 18399 1 . ALA 70 70 18399 1 . GLY 71 71 18399 1 . ALA 72 72 18399 1 . THR 73 73 18399 1 . PHE 74 74 18399 1 . HIS 75 75 18399 1 . MET 76 76 18399 1 . VAL 77 77 18399 1 . VAL 78 78 18399 1 . ALA 79 79 18399 1 . LEU 80 80 18399 1 . ARG 81 81 18399 1 . ALA 82 82 18399 1 . GLY 83 83 18399 1 . CYS 84 84 18399 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18399 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $tbubl . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . . . . . . . . . 18399 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18399 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $tbubl . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 18399 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18399 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 tbubl '[U-100% 13C; U-100% 15N]' . . 1 $tbubl . . 0.5 . . mM . . . . 18399 1 2 H2O 'natural abundance' . . . . . . 0.5 . . mM . . . . 18399 1 3 D2O 'natural abundance' . . . . . . 0.5 . . mM . . . . 18399 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18399 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 18399 1 pH 6.8 . pH 18399 1 pressure 1 . atm 18399 1 temperature 293 . K 18399 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18399 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18399 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18399 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18399 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18399 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 18399 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18399 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18399 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18399 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18399 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18399 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18399 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18399 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18399 1 2 '2D 1H-13C HSQC' . . . 18399 1 3 '3D CBCA(CO)NH' . . . 18399 1 4 '3D C(CO)NH' . . . 18399 1 5 '3D HNCACB' . . . 18399 1 6 '3D H(CCO)NH' . . . 18399 1 7 '3D HBHA(CO)NH' . . . 18399 1 8 '3D 1H-15N NOESY' . . . 18399 1 9 '3D 1H-13C NOESY' . . . 18399 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 MET H H 1 8.366 0.010 . 1 . . . . 1 MET H . 18399 1 2 . 1 1 7 7 MET HA H 1 4.502 0.015 . 1 . . . . 1 MET HA . 18399 1 3 . 1 1 7 7 MET HB2 H 1 1.708 0.020 . 2 . . . . 1 MET HB2 . 18399 1 4 . 1 1 7 7 MET HB3 H 1 1.872 0.016 . 2 . . . . 1 MET HB3 . 18399 1 5 . 1 1 7 7 MET HE1 H 1 2.253 0.016 . 1 . . . . 1 MET HE1 . 18399 1 6 . 1 1 7 7 MET HE2 H 1 2.253 0.016 . 1 . . . . 1 MET HE2 . 18399 1 7 . 1 1 7 7 MET HE3 H 1 2.253 0.016 . 1 . . . . 1 MET HE3 . 18399 1 8 . 1 1 7 7 MET CA C 13 54.388 0.247 . 1 . . . . 1 MET CA . 18399 1 9 . 1 1 7 7 MET CB C 13 34.716 0.100 . 1 . . . . 1 MET CB . 18399 1 10 . 1 1 7 7 MET CG C 13 31.334 0.000 . 1 . . . . 1 MET CG . 18399 1 11 . 1 1 7 7 MET N N 15 121.454 0.049 . 1 . . . . 1 MET N . 18399 1 12 . 1 1 8 8 LEU H H 1 8.251 0.006 . 1 . . . . 2 LEU H . 18399 1 13 . 1 1 8 8 LEU HA H 1 4.474 0.021 . 1 . . . . 2 LEU HA . 18399 1 14 . 1 1 8 8 LEU HB2 H 1 1.482 0.016 . 2 . . . . 2 LEU HB2 . 18399 1 15 . 1 1 8 8 LEU HB3 H 1 1.631 0.018 . 2 . . . . 2 LEU HB3 . 18399 1 16 . 1 1 8 8 LEU HG H 1 1.292 0.023 . 1 . . . . 2 LEU HG . 18399 1 17 . 1 1 8 8 LEU HD11 H 1 0.775 0.013 . 2 . . . . 2 LEU HD11 . 18399 1 18 . 1 1 8 8 LEU HD12 H 1 0.775 0.013 . 2 . . . . 2 LEU HD12 . 18399 1 19 . 1 1 8 8 LEU HD13 H 1 0.775 0.013 . 2 . . . . 2 LEU HD13 . 18399 1 20 . 1 1 8 8 LEU CA C 13 55.275 0.125 . 1 . . . . 2 LEU CA . 18399 1 21 . 1 1 8 8 LEU CB C 13 41.902 0.177 . 1 . . . . 2 LEU CB . 18399 1 22 . 1 1 8 8 LEU CG C 13 28.219 0.000 . 1 . . . . 2 LEU CG . 18399 1 23 . 1 1 8 8 LEU CD1 C 13 24.511 0.000 . 2 . . . . 2 LEU CD1 . 18399 1 24 . 1 1 8 8 LEU N N 15 125.142 0.020 . 1 . . . . 2 LEU N . 18399 1 25 . 1 1 9 9 LEU H H 1 8.307 0.012 . 1 . . . . 3 LEU H . 18399 1 26 . 1 1 9 9 LEU HA H 1 4.796 0.021 . 1 . . . . 3 LEU HA . 18399 1 27 . 1 1 9 9 LEU HB2 H 1 1.164 0.012 . 2 . . . . 3 LEU HB2 . 18399 1 28 . 1 1 9 9 LEU HB3 H 1 1.599 0.020 . 2 . . . . 3 LEU HB3 . 18399 1 29 . 1 1 9 9 LEU HD11 H 1 0.659 0.002 . 2 . . . . 3 LEU HD11 . 18399 1 30 . 1 1 9 9 LEU HD12 H 1 0.659 0.002 . 2 . . . . 3 LEU HD12 . 18399 1 31 . 1 1 9 9 LEU HD13 H 1 0.659 0.002 . 2 . . . . 3 LEU HD13 . 18399 1 32 . 1 1 9 9 LEU CA C 13 53.043 0.072 . 1 . . . . 3 LEU CA . 18399 1 33 . 1 1 9 9 LEU CB C 13 44.508 0.217 . 1 . . . . 3 LEU CB . 18399 1 34 . 1 1 9 9 LEU CG C 13 26.715 0.000 . 1 . . . . 3 LEU CG . 18399 1 35 . 1 1 9 9 LEU N N 15 126.326 0.039 . 1 . . . . 3 LEU N . 18399 1 36 . 1 1 10 10 LYS H H 1 8.428 0.014 . 1 . . . . 4 LYS H . 18399 1 37 . 1 1 10 10 LYS HA H 1 5.080 0.014 . 1 . . . . 4 LYS HA . 18399 1 38 . 1 1 10 10 LYS HB2 H 1 1.398 0.008 . 2 . . . . 4 LYS HB2 . 18399 1 39 . 1 1 10 10 LYS HB3 H 1 1.849 0.017 . 2 . . . . 4 LYS HB3 . 18399 1 40 . 1 1 10 10 LYS HG2 H 1 1.472 0.000 . 2 . . . . 4 LYS HG2 . 18399 1 41 . 1 1 10 10 LYS HG3 H 1 1.472 0.000 . 2 . . . . 4 LYS HG3 . 18399 1 42 . 1 1 10 10 LYS HD2 H 1 1.134 0.000 . 2 . . . . 4 LYS HD2 . 18399 1 43 . 1 1 10 10 LYS HD3 H 1 1.134 0.000 . 2 . . . . 4 LYS HD3 . 18399 1 44 . 1 1 10 10 LYS HE2 H 1 2.756 0.023 . 2 . . . . 4 LYS HE2 . 18399 1 45 . 1 1 10 10 LYS HE3 H 1 2.756 0.023 . 2 . . . . 4 LYS HE3 . 18399 1 46 . 1 1 10 10 LYS CA C 13 54.632 0.146 . 1 . . . . 4 LYS CA . 18399 1 47 . 1 1 10 10 LYS CB C 13 34.425 0.181 . 1 . . . . 4 LYS CB . 18399 1 48 . 1 1 10 10 LYS CG C 13 25.459 0.000 . 1 . . . . 4 LYS CG . 18399 1 49 . 1 1 10 10 LYS N N 15 121.349 0.027 . 1 . . . . 4 LYS N . 18399 1 50 . 1 1 11 11 VAL H H 1 9.088 0.014 . 1 . . . . 5 VAL H . 18399 1 51 . 1 1 11 11 VAL HA H 1 4.688 0.018 . 1 . . . . 5 VAL HA . 18399 1 52 . 1 1 11 11 VAL HB H 1 1.869 0.012 . 1 . . . . 5 VAL HB . 18399 1 53 . 1 1 11 11 VAL HG11 H 1 0.740 0.016 . 2 . . . . 5 VAL HG11 . 18399 1 54 . 1 1 11 11 VAL HG12 H 1 0.740 0.016 . 2 . . . . 5 VAL HG12 . 18399 1 55 . 1 1 11 11 VAL HG13 H 1 0.740 0.016 . 2 . . . . 5 VAL HG13 . 18399 1 56 . 1 1 11 11 VAL CA C 13 60.326 0.174 . 1 . . . . 5 VAL CA . 18399 1 57 . 1 1 11 11 VAL CB C 13 33.830 0.160 . 1 . . . . 5 VAL CB . 18399 1 58 . 1 1 11 11 VAL CG1 C 13 22.384 0.000 . 2 . . . . 5 VAL CG1 . 18399 1 59 . 1 1 11 11 VAL CG2 C 13 20.738 0.000 . 2 . . . . 5 VAL CG2 . 18399 1 60 . 1 1 11 11 VAL N N 15 122.408 0.065 . 1 . . . . 5 VAL N . 18399 1 61 . 1 1 12 12 LYS H H 1 9.029 0.011 . 1 . . . . 6 LYS H . 18399 1 62 . 1 1 12 12 LYS HA H 1 5.352 0.021 . 1 . . . . 6 LYS HA . 18399 1 63 . 1 1 12 12 LYS HB2 H 1 1.336 0.016 . 2 . . . . 6 LYS HB2 . 18399 1 64 . 1 1 12 12 LYS HB3 H 1 1.696 0.013 . 2 . . . . 6 LYS HB3 . 18399 1 65 . 1 1 12 12 LYS HG2 H 1 1.221 0.013 . 2 . . . . 6 LYS HG2 . 18399 1 66 . 1 1 12 12 LYS HG3 H 1 1.221 0.013 . 2 . . . . 6 LYS HG3 . 18399 1 67 . 1 1 12 12 LYS HD2 H 1 1.518 0.018 . 2 . . . . 6 LYS HD2 . 18399 1 68 . 1 1 12 12 LYS HD3 H 1 1.518 0.018 . 2 . . . . 6 LYS HD3 . 18399 1 69 . 1 1 12 12 LYS CA C 13 54.675 0.197 . 1 . . . . 6 LYS CA . 18399 1 70 . 1 1 12 12 LYS CB C 13 34.184 0.134 . 1 . . . . 6 LYS CB . 18399 1 71 . 1 1 12 12 LYS CG C 13 25.016 0.000 . 1 . . . . 6 LYS CG . 18399 1 72 . 1 1 12 12 LYS N N 15 127.778 0.042 . 1 . . . . 6 LYS N . 18399 1 73 . 1 1 13 13 THR H H 1 8.790 0.011 . 1 . . . . 7 THR H . 18399 1 74 . 1 1 13 13 THR HA H 1 4.860 0.020 . 1 . . . . 7 THR HA . 18399 1 75 . 1 1 13 13 THR HG21 H 1 1.169 0.008 . 1 . . . . 7 THR HG21 . 18399 1 76 . 1 1 13 13 THR HG22 H 1 1.169 0.008 . 1 . . . . 7 THR HG22 . 18399 1 77 . 1 1 13 13 THR HG23 H 1 1.169 0.008 . 1 . . . . 7 THR HG23 . 18399 1 78 . 1 1 13 13 THR CA C 13 60.392 0.097 . 1 . . . . 7 THR CA . 18399 1 79 . 1 1 13 13 THR CB C 13 71.189 0.134 . 1 . . . . 7 THR CB . 18399 1 80 . 1 1 13 13 THR CG2 C 13 21.383 0.000 . 1 . . . . 7 THR CG2 . 18399 1 81 . 1 1 13 13 THR N N 15 116.723 0.054 . 1 . . . . 7 THR N . 18399 1 82 . 1 1 14 14 VAL H H 1 8.872 0.013 . 1 . . . . 8 VAL H . 18399 1 83 . 1 1 14 14 VAL HA H 1 4.103 0.017 . 1 . . . . 8 VAL HA . 18399 1 84 . 1 1 14 14 VAL HB H 1 2.328 0.014 . 1 . . . . 8 VAL HB . 18399 1 85 . 1 1 14 14 VAL HG11 H 1 1.119 0.021 . 2 . . . . 8 VAL HG11 . 18399 1 86 . 1 1 14 14 VAL HG12 H 1 1.119 0.021 . 2 . . . . 8 VAL HG12 . 18399 1 87 . 1 1 14 14 VAL HG13 H 1 1.119 0.021 . 2 . . . . 8 VAL HG13 . 18399 1 88 . 1 1 14 14 VAL CA C 13 64.712 0.100 . 1 . . . . 8 VAL CA . 18399 1 89 . 1 1 14 14 VAL CB C 13 31.160 0.235 . 1 . . . . 8 VAL CB . 18399 1 90 . 1 1 14 14 VAL CG1 C 13 21.314 0.000 . 2 . . . . 8 VAL CG1 . 18399 1 91 . 1 1 14 14 VAL N N 15 119.340 0.078 . 1 . . . . 8 VAL N . 18399 1 92 . 1 1 15 15 SER H H 1 7.859 0.015 . 1 . . . . 9 SER H . 18399 1 93 . 1 1 15 15 SER HA H 1 4.513 0.014 . 1 . . . . 9 SER HA . 18399 1 94 . 1 1 15 15 SER HB2 H 1 3.886 0.009 . 2 . . . . 9 SER HB2 . 18399 1 95 . 1 1 15 15 SER HB3 H 1 4.055 0.000 . 2 . . . . 9 SER HB3 . 18399 1 96 . 1 1 15 15 SER CA C 13 57.913 0.170 . 1 . . . . 9 SER CA . 18399 1 97 . 1 1 15 15 SER CB C 13 63.243 0.244 . 1 . . . . 9 SER CB . 18399 1 98 . 1 1 15 15 SER N N 15 114.630 0.040 . 1 . . . . 9 SER N . 18399 1 99 . 1 1 16 16 ASN H H 1 8.229 0.013 . 1 . . . . 10 ASN H . 18399 1 100 . 1 1 16 16 ASN HA H 1 4.192 0.018 . 1 . . . . 10 ASN HA . 18399 1 101 . 1 1 16 16 ASN HB2 H 1 3.056 0.018 . 2 . . . . 10 ASN HB2 . 18399 1 102 . 1 1 16 16 ASN CA C 13 54.961 0.142 . 1 . . . . 10 ASN CA . 18399 1 103 . 1 1 16 16 ASN CB C 13 36.295 0.062 . 1 . . . . 10 ASN CB . 18399 1 104 . 1 1 16 16 ASN N N 15 115.509 0.047 . 1 . . . . 10 ASN N . 18399 1 105 . 1 1 17 17 LYS H H 1 7.315 0.017 . 1 . . . . 11 LYS H . 18399 1 106 . 1 1 17 17 LYS HA H 1 4.255 0.000 . 1 . . . . 11 LYS HA . 18399 1 107 . 1 1 17 17 LYS HB2 H 1 1.609 0.015 . 2 . . . . 11 LYS HB2 . 18399 1 108 . 1 1 17 17 LYS HG2 H 1 1.099 0.022 . 2 . . . . 11 LYS HG2 . 18399 1 109 . 1 1 17 17 LYS HG3 H 1 1.555 0.000 . 2 . . . . 11 LYS HG3 . 18399 1 110 . 1 1 17 17 LYS HD2 H 1 1.404 0.023 . 2 . . . . 11 LYS HD2 . 18399 1 111 . 1 1 17 17 LYS HD3 H 1 1.404 0.023 . 2 . . . . 11 LYS HD3 . 18399 1 112 . 1 1 17 17 LYS HE2 H 1 2.825 0.000 . 2 . . . . 11 LYS HE2 . 18399 1 113 . 1 1 17 17 LYS HE3 H 1 2.825 0.000 . 2 . . . . 11 LYS HE3 . 18399 1 114 . 1 1 17 17 LYS CA C 13 56.347 0.157 . 1 . . . . 11 LYS CA . 18399 1 115 . 1 1 17 17 LYS CB C 13 32.936 0.361 . 1 . . . . 11 LYS CB . 18399 1 116 . 1 1 17 17 LYS CG C 13 24.874 0.000 . 1 . . . . 11 LYS CG . 18399 1 117 . 1 1 17 17 LYS CD C 13 29.387 0.000 . 1 . . . . 11 LYS CD . 18399 1 118 . 1 1 17 17 LYS CE C 13 41.870 0.000 . 1 . . . . 11 LYS CE . 18399 1 119 . 1 1 17 17 LYS N N 15 120.345 0.040 . 1 . . . . 11 LYS N . 18399 1 120 . 1 1 18 18 VAL H H 1 8.576 0.017 . 1 . . . . 12 VAL H . 18399 1 121 . 1 1 18 18 VAL HA H 1 4.637 0.023 . 1 . . . . 12 VAL HA . 18399 1 122 . 1 1 18 18 VAL HB H 1 1.901 0.016 . 1 . . . . 12 VAL HB . 18399 1 123 . 1 1 18 18 VAL HG11 H 1 0.700 0.000 . 2 . . . . 12 VAL HG11 . 18399 1 124 . 1 1 18 18 VAL HG12 H 1 0.700 0.000 . 2 . . . . 12 VAL HG12 . 18399 1 125 . 1 1 18 18 VAL HG13 H 1 0.700 0.000 . 2 . . . . 12 VAL HG13 . 18399 1 126 . 1 1 18 18 VAL HG21 H 1 0.851 0.018 . 2 . . . . 12 VAL HG21 . 18399 1 127 . 1 1 18 18 VAL HG22 H 1 0.851 0.018 . 2 . . . . 12 VAL HG22 . 18399 1 128 . 1 1 18 18 VAL HG23 H 1 0.851 0.018 . 2 . . . . 12 VAL HG23 . 18399 1 129 . 1 1 18 18 VAL CA C 13 61.749 0.145 . 1 . . . . 12 VAL CA . 18399 1 130 . 1 1 18 18 VAL CB C 13 32.192 0.122 . 1 . . . . 12 VAL CB . 18399 1 131 . 1 1 18 18 VAL CG1 C 13 21.360 0.000 . 2 . . . . 12 VAL CG1 . 18399 1 132 . 1 1 18 18 VAL N N 15 125.270 0.041 . 1 . . . . 12 VAL N . 18399 1 133 . 1 1 19 19 ILE H H 1 9.486 0.015 . 1 . . . . 13 ILE H . 18399 1 134 . 1 1 19 19 ILE HA H 1 4.153 0.016 . 1 . . . . 13 ILE HA . 18399 1 135 . 1 1 19 19 ILE HB H 1 1.675 0.017 . 1 . . . . 13 ILE HB . 18399 1 136 . 1 1 19 19 ILE HG12 H 1 1.333 0.015 . 2 . . . . 13 ILE HG12 . 18399 1 137 . 1 1 19 19 ILE HG13 H 1 1.333 0.015 . 2 . . . . 13 ILE HG13 . 18399 1 138 . 1 1 19 19 ILE HG21 H 1 0.916 0.007 . 1 . . . . 13 ILE HG21 . 18399 1 139 . 1 1 19 19 ILE HG22 H 1 0.916 0.007 . 1 . . . . 13 ILE HG22 . 18399 1 140 . 1 1 19 19 ILE HG23 H 1 0.916 0.007 . 1 . . . . 13 ILE HG23 . 18399 1 141 . 1 1 19 19 ILE HD11 H 1 0.744 0.015 . 1 . . . . 13 ILE HD11 . 18399 1 142 . 1 1 19 19 ILE HD12 H 1 0.744 0.015 . 1 . . . . 13 ILE HD12 . 18399 1 143 . 1 1 19 19 ILE HD13 H 1 0.744 0.015 . 1 . . . . 13 ILE HD13 . 18399 1 144 . 1 1 19 19 ILE CA C 13 60.445 0.163 . 1 . . . . 13 ILE CA . 18399 1 145 . 1 1 19 19 ILE CB C 13 40.195 0.109 . 1 . . . . 13 ILE CB . 18399 1 146 . 1 1 19 19 ILE CG1 C 13 27.574 0.000 . 1 . . . . 13 ILE CG1 . 18399 1 147 . 1 1 19 19 ILE CG2 C 13 14.815 0.000 . 1 . . . . 13 ILE CG2 . 18399 1 148 . 1 1 19 19 ILE CD1 C 13 17.726 0.000 . 1 . . . . 13 ILE CD1 . 18399 1 149 . 1 1 19 19 ILE N N 15 130.928 0.092 . 1 . . . . 13 ILE N . 18399 1 150 . 1 1 20 20 GLN H H 1 8.803 0.015 . 1 . . . . 14 GLN H . 18399 1 151 . 1 1 20 20 GLN HA H 1 5.062 0.017 . 1 . . . . 14 GLN HA . 18399 1 152 . 1 1 20 20 GLN HB2 H 1 1.914 0.014 . 2 . . . . 14 GLN HB2 . 18399 1 153 . 1 1 20 20 GLN HB3 H 1 2.323 0.019 . 2 . . . . 14 GLN HB3 . 18399 1 154 . 1 1 20 20 GLN CA C 13 54.795 0.185 . 1 . . . . 14 GLN CA . 18399 1 155 . 1 1 20 20 GLN CB C 13 29.601 0.177 . 1 . . . . 14 GLN CB . 18399 1 156 . 1 1 20 20 GLN CG C 13 34.955 0.187 . 1 . . . . 14 GLN CG . 18399 1 157 . 1 1 20 20 GLN N N 15 124.762 0.033 . 1 . . . . 14 GLN N . 18399 1 158 . 1 1 21 21 ILE H H 1 9.076 0.013 . 1 . . . . 15 ILE H . 18399 1 159 . 1 1 21 21 ILE HA H 1 4.513 0.013 . 1 . . . . 15 ILE HA . 18399 1 160 . 1 1 21 21 ILE HB H 1 1.755 0.006 . 1 . . . . 15 ILE HB . 18399 1 161 . 1 1 21 21 ILE HG12 H 1 1.125 0.016 . 2 . . . . 15 ILE HG12 . 18399 1 162 . 1 1 21 21 ILE HG13 H 1 1.696 0.000 . 2 . . . . 15 ILE HG13 . 18399 1 163 . 1 1 21 21 ILE HG21 H 1 0.904 0.018 . 1 . . . . 15 ILE HG21 . 18399 1 164 . 1 1 21 21 ILE HG22 H 1 0.904 0.018 . 1 . . . . 15 ILE HG22 . 18399 1 165 . 1 1 21 21 ILE HG23 H 1 0.904 0.018 . 1 . . . . 15 ILE HG23 . 18399 1 166 . 1 1 21 21 ILE HD11 H 1 0.628 0.000 . 1 . . . . 15 ILE HD11 . 18399 1 167 . 1 1 21 21 ILE HD12 H 1 0.628 0.000 . 1 . . . . 15 ILE HD12 . 18399 1 168 . 1 1 21 21 ILE HD13 H 1 0.628 0.000 . 1 . . . . 15 ILE HD13 . 18399 1 169 . 1 1 21 21 ILE CA C 13 59.639 0.217 . 1 . . . . 15 ILE CA . 18399 1 170 . 1 1 21 21 ILE CB C 13 39.171 0.173 . 1 . . . . 15 ILE CB . 18399 1 171 . 1 1 21 21 ILE CG1 C 13 26.624 0.000 . 1 . . . . 15 ILE CG1 . 18399 1 172 . 1 1 21 21 ILE CG2 C 13 17.067 0.000 . 1 . . . . 15 ILE CG2 . 18399 1 173 . 1 1 21 21 ILE N N 15 126.010 0.034 . 1 . . . . 15 ILE N . 18399 1 174 . 1 1 22 22 THR H H 1 9.047 0.013 . 1 . . . . 16 THR H . 18399 1 175 . 1 1 22 22 THR HA H 1 4.904 0.031 . 1 . . . . 16 THR HA . 18399 1 176 . 1 1 22 22 THR HB H 1 4.458 0.000 . 1 . . . . 16 THR HB . 18399 1 177 . 1 1 22 22 THR HG21 H 1 1.071 0.020 . 1 . . . . 16 THR HG21 . 18399 1 178 . 1 1 22 22 THR HG22 H 1 1.071 0.020 . 1 . . . . 16 THR HG22 . 18399 1 179 . 1 1 22 22 THR HG23 H 1 1.071 0.020 . 1 . . . . 16 THR HG23 . 18399 1 180 . 1 1 22 22 THR CA C 13 61.462 0.162 . 1 . . . . 16 THR CA . 18399 1 181 . 1 1 22 22 THR CB C 13 69.657 0.167 . 1 . . . . 16 THR CB . 18399 1 182 . 1 1 22 22 THR CG2 C 13 21.108 0.000 . 1 . . . . 16 THR CG2 . 18399 1 183 . 1 1 22 22 THR N N 15 118.074 0.057 . 1 . . . . 16 THR N . 18399 1 184 . 1 1 23 23 SER H H 1 7.330 0.016 . 1 . . . . 17 SER H . 18399 1 185 . 1 1 23 23 SER HA H 1 4.440 0.000 . 1 . . . . 17 SER HA . 18399 1 186 . 1 1 23 23 SER HB2 H 1 3.748 0.009 . 2 . . . . 17 SER HB2 . 18399 1 187 . 1 1 23 23 SER HB3 H 1 4.053 0.014 . 2 . . . . 17 SER HB3 . 18399 1 188 . 1 1 23 23 SER CA C 13 58.002 0.000 . 1 . . . . 17 SER CA . 18399 1 189 . 1 1 23 23 SER CB C 13 64.268 0.202 . 1 . . . . 17 SER CB . 18399 1 190 . 1 1 23 23 SER N N 15 113.130 0.069 . 1 . . . . 17 SER N . 18399 1 191 . 1 1 24 24 LEU H H 1 8.728 0.013 . 1 . . . . 18 LEU H . 18399 1 192 . 1 1 24 24 LEU HA H 1 4.739 0.020 . 1 . . . . 18 LEU HA . 18399 1 193 . 1 1 24 24 LEU HB2 H 1 1.436 0.015 . 2 . . . . 18 LEU HB2 . 18399 1 194 . 1 1 24 24 LEU HB3 H 1 1.829 0.014 . 2 . . . . 18 LEU HB3 . 18399 1 195 . 1 1 24 24 LEU HD11 H 1 0.624 0.008 . 2 . . . . 18 LEU HD11 . 18399 1 196 . 1 1 24 24 LEU HD12 H 1 0.624 0.008 . 2 . . . . 18 LEU HD12 . 18399 1 197 . 1 1 24 24 LEU HD13 H 1 0.624 0.008 . 2 . . . . 18 LEU HD13 . 18399 1 198 . 1 1 24 24 LEU CA C 13 53.858 0.119 . 1 . . . . 18 LEU CA . 18399 1 199 . 1 1 24 24 LEU CB C 13 42.490 0.156 . 1 . . . . 18 LEU CB . 18399 1 200 . 1 1 24 24 LEU CG C 13 26.703 0.000 . 1 . . . . 18 LEU CG . 18399 1 201 . 1 1 24 24 LEU N N 15 123.241 0.025 . 1 . . . . 18 LEU N . 18399 1 202 . 1 1 25 25 THR H H 1 9.363 0.016 . 1 . . . . 19 THR H . 18399 1 203 . 1 1 25 25 THR HA H 1 4.816 0.021 . 1 . . . . 19 THR HA . 18399 1 204 . 1 1 25 25 THR HB H 1 4.339 0.009 . 1 . . . . 19 THR HB . 18399 1 205 . 1 1 25 25 THR HG21 H 1 0.846 0.010 . 1 . . . . 19 THR HG21 . 18399 1 206 . 1 1 25 25 THR HG22 H 1 0.846 0.010 . 1 . . . . 19 THR HG22 . 18399 1 207 . 1 1 25 25 THR HG23 H 1 0.846 0.010 . 1 . . . . 19 THR HG23 . 18399 1 208 . 1 1 25 25 THR CA C 13 59.575 0.159 . 1 . . . . 19 THR CA . 18399 1 209 . 1 1 25 25 THR CB C 13 72.043 0.083 . 1 . . . . 19 THR CB . 18399 1 210 . 1 1 25 25 THR CG2 C 13 20.598 0.000 . 1 . . . . 19 THR CG2 . 18399 1 211 . 1 1 25 25 THR N N 15 111.915 0.051 . 1 . . . . 19 THR N . 18399 1 212 . 1 1 26 26 ASP H H 1 8.785 0.014 . 1 . . . . 20 ASP H . 18399 1 213 . 1 1 26 26 ASP HA H 1 4.333 0.016 . 1 . . . . 20 ASP HA . 18399 1 214 . 1 1 26 26 ASP HB2 H 1 2.739 0.028 . 2 . . . . 20 ASP HB2 . 18399 1 215 . 1 1 26 26 ASP HB3 H 1 2.739 0.028 . 2 . . . . 20 ASP HB3 . 18399 1 216 . 1 1 26 26 ASP CA C 13 55.729 0.088 . 1 . . . . 20 ASP CA . 18399 1 217 . 1 1 26 26 ASP CB C 13 39.382 0.164 . 1 . . . . 20 ASP CB . 18399 1 218 . 1 1 26 26 ASP N N 15 117.183 0.066 . 1 . . . . 20 ASP N . 18399 1 219 . 1 1 27 27 ASP H H 1 7.775 0.015 . 1 . . . . 21 ASP H . 18399 1 220 . 1 1 27 27 ASP HA H 1 4.674 0.020 . 1 . . . . 21 ASP HA . 18399 1 221 . 1 1 27 27 ASP HB2 H 1 2.200 0.020 . 2 . . . . 21 ASP HB2 . 18399 1 222 . 1 1 27 27 ASP HB3 H 1 2.485 0.018 . 2 . . . . 21 ASP HB3 . 18399 1 223 . 1 1 27 27 ASP CA C 13 54.770 0.210 . 1 . . . . 21 ASP CA . 18399 1 224 . 1 1 27 27 ASP CB C 13 42.294 0.178 . 1 . . . . 21 ASP CB . 18399 1 225 . 1 1 27 27 ASP N N 15 116.327 0.041 . 1 . . . . 21 ASP N . 18399 1 226 . 1 1 28 28 ASN H H 1 7.829 0.014 . 1 . . . . 22 ASN H . 18399 1 227 . 1 1 28 28 ASN HA H 1 4.892 0.019 . 1 . . . . 22 ASN HA . 18399 1 228 . 1 1 28 28 ASN HB2 H 1 2.897 0.013 . 2 . . . . 22 ASN HB2 . 18399 1 229 . 1 1 28 28 ASN CA C 13 55.810 0.048 . 1 . . . . 22 ASN CA . 18399 1 230 . 1 1 28 28 ASN CB C 13 41.101 0.022 . 1 . . . . 22 ASN CB . 18399 1 231 . 1 1 28 28 ASN N N 15 117.269 0.033 . 1 . . . . 22 ASN N . 18399 1 232 . 1 1 29 29 THR H H 1 9.145 0.016 . 1 . . . . 23 THR H . 18399 1 233 . 1 1 29 29 THR HA H 1 5.206 0.012 . 1 . . . . 23 THR HA . 18399 1 234 . 1 1 29 29 THR HB H 1 4.839 0.004 . 1 . . . . 23 THR HB . 18399 1 235 . 1 1 29 29 THR HG21 H 1 1.150 0.014 . 1 . . . . 23 THR HG21 . 18399 1 236 . 1 1 29 29 THR HG22 H 1 1.150 0.014 . 1 . . . . 23 THR HG22 . 18399 1 237 . 1 1 29 29 THR HG23 H 1 1.150 0.014 . 1 . . . . 23 THR HG23 . 18399 1 238 . 1 1 29 29 THR CA C 13 59.830 0.144 . 1 . . . . 23 THR CA . 18399 1 239 . 1 1 29 29 THR CB C 13 72.396 0.033 . 1 . . . . 23 THR CB . 18399 1 240 . 1 1 29 29 THR CG2 C 13 21.306 0.000 . 1 . . . . 23 THR CG2 . 18399 1 241 . 1 1 29 29 THR N N 15 108.639 0.037 . 1 . . . . 23 THR N . 18399 1 242 . 1 1 30 30 ILE H H 1 8.477 0.016 . 1 . . . . 24 ILE H . 18399 1 243 . 1 1 30 30 ILE HA H 1 3.686 0.016 . 1 . . . . 24 ILE HA . 18399 1 244 . 1 1 30 30 ILE HB H 1 2.689 0.014 . 1 . . . . 24 ILE HB . 18399 1 245 . 1 1 30 30 ILE HG12 H 1 1.784 0.000 . 2 . . . . 24 ILE HG12 . 18399 1 246 . 1 1 30 30 ILE HG13 H 1 1.288 0.024 . 2 . . . . 24 ILE HG13 . 18399 1 247 . 1 1 30 30 ILE HG21 H 1 0.683 0.019 . 1 . . . . 24 ILE HG21 . 18399 1 248 . 1 1 30 30 ILE HG22 H 1 0.683 0.019 . 1 . . . . 24 ILE HG22 . 18399 1 249 . 1 1 30 30 ILE HG23 H 1 0.683 0.019 . 1 . . . . 24 ILE HG23 . 18399 1 250 . 1 1 30 30 ILE HD11 H 1 0.524 0.020 . 1 . . . . 24 ILE HD11 . 18399 1 251 . 1 1 30 30 ILE HD12 H 1 0.524 0.020 . 1 . . . . 24 ILE HD12 . 18399 1 252 . 1 1 30 30 ILE HD13 H 1 0.524 0.020 . 1 . . . . 24 ILE HD13 . 18399 1 253 . 1 1 30 30 ILE CA C 13 61.580 0.215 . 1 . . . . 24 ILE CA . 18399 1 254 . 1 1 30 30 ILE CB C 13 33.344 0.162 . 1 . . . . 24 ILE CB . 18399 1 255 . 1 1 30 30 ILE CG1 C 13 27.055 0.000 . 1 . . . . 24 ILE CG1 . 18399 1 256 . 1 1 30 30 ILE CG2 C 13 17.338 0.000 . 1 . . . . 24 ILE CG2 . 18399 1 257 . 1 1 30 30 ILE CD1 C 13 9.259 0.000 . 1 . . . . 24 ILE CD1 . 18399 1 258 . 1 1 30 30 ILE N N 15 120.336 0.062 . 1 . . . . 24 ILE N . 18399 1 259 . 1 1 31 31 ALA H H 1 8.951 0.013 . 1 . . . . 25 ALA H . 18399 1 260 . 1 1 31 31 ALA HA H 1 3.871 0.023 . 1 . . . . 25 ALA HA . 18399 1 261 . 1 1 31 31 ALA HB1 H 1 1.417 0.018 . 1 . . . . 25 ALA HB1 . 18399 1 262 . 1 1 31 31 ALA HB2 H 1 1.417 0.018 . 1 . . . . 25 ALA HB2 . 18399 1 263 . 1 1 31 31 ALA HB3 H 1 1.417 0.018 . 1 . . . . 25 ALA HB3 . 18399 1 264 . 1 1 31 31 ALA CA C 13 55.956 0.113 . 1 . . . . 25 ALA CA . 18399 1 265 . 1 1 31 31 ALA CB C 13 18.160 0.071 . 1 . . . . 25 ALA CB . 18399 1 266 . 1 1 31 31 ALA N N 15 123.489 0.047 . 1 . . . . 25 ALA N . 18399 1 267 . 1 1 32 32 GLU H H 1 7.988 0.011 . 1 . . . . 26 GLU H . 18399 1 268 . 1 1 32 32 GLU HA H 1 4.015 0.015 . 1 . . . . 26 GLU HA . 18399 1 269 . 1 1 32 32 GLU HB2 H 1 1.838 0.020 . 2 . . . . 26 GLU HB2 . 18399 1 270 . 1 1 32 32 GLU HB3 H 1 2.624 0.016 . 2 . . . . 26 GLU HB3 . 18399 1 271 . 1 1 32 32 GLU HG2 H 1 2.184 0.000 . 2 . . . . 26 GLU HG2 . 18399 1 272 . 1 1 32 32 GLU HG3 H 1 2.460 0.016 . 2 . . . . 26 GLU HG3 . 18399 1 273 . 1 1 32 32 GLU CA C 13 59.351 0.254 . 1 . . . . 26 GLU CA . 18399 1 274 . 1 1 32 32 GLU CB C 13 28.722 0.123 . 1 . . . . 26 GLU CB . 18399 1 275 . 1 1 32 32 GLU CG C 13 38.179 0.000 . 1 . . . . 26 GLU CG . 18399 1 276 . 1 1 32 32 GLU N N 15 120.101 0.036 . 1 . . . . 26 GLU N . 18399 1 277 . 1 1 33 33 LEU H H 1 8.083 0.009 . 1 . . . . 27 LEU H . 18399 1 278 . 1 1 33 33 LEU HA H 1 4.033 0.015 . 1 . . . . 27 LEU HA . 18399 1 279 . 1 1 33 33 LEU HB2 H 1 1.179 0.012 . 2 . . . . 27 LEU HB2 . 18399 1 280 . 1 1 33 33 LEU HB3 H 1 2.281 0.014 . 2 . . . . 27 LEU HB3 . 18399 1 281 . 1 1 33 33 LEU HD11 H 1 0.533 0.000 . 2 . . . . 27 LEU HD11 . 18399 1 282 . 1 1 33 33 LEU HD12 H 1 0.533 0.000 . 2 . . . . 27 LEU HD12 . 18399 1 283 . 1 1 33 33 LEU HD13 H 1 0.533 0.000 . 2 . . . . 27 LEU HD13 . 18399 1 284 . 1 1 33 33 LEU HD21 H 1 0.751 0.011 . 2 . . . . 27 LEU HD21 . 18399 1 285 . 1 1 33 33 LEU HD22 H 1 0.751 0.011 . 2 . . . . 27 LEU HD22 . 18399 1 286 . 1 1 33 33 LEU HD23 H 1 0.751 0.011 . 2 . . . . 27 LEU HD23 . 18399 1 287 . 1 1 33 33 LEU CA C 13 58.662 0.150 . 1 . . . . 27 LEU CA . 18399 1 288 . 1 1 33 33 LEU CB C 13 40.157 0.120 . 1 . . . . 27 LEU CB . 18399 1 289 . 1 1 33 33 LEU CG C 13 27.395 0.000 . 1 . . . . 27 LEU CG . 18399 1 290 . 1 1 33 33 LEU CD2 C 13 23.022 0.000 . 2 . . . . 27 LEU CD2 . 18399 1 291 . 1 1 33 33 LEU N N 15 124.025 0.044 . 1 . . . . 27 LEU N . 18399 1 292 . 1 1 34 34 LYS H H 1 8.746 0.016 . 1 . . . . 28 LYS H . 18399 1 293 . 1 1 34 34 LYS HA H 1 3.799 0.020 . 1 . . . . 28 LYS HA . 18399 1 294 . 1 1 34 34 LYS HB2 H 1 1.775 0.015 . 2 . . . . 28 LYS HB2 . 18399 1 295 . 1 1 34 34 LYS HB3 H 1 2.048 0.015 . 2 . . . . 28 LYS HB3 . 18399 1 296 . 1 1 34 34 LYS HD2 H 1 1.627 0.001 . 2 . . . . 28 LYS HD2 . 18399 1 297 . 1 1 34 34 LYS HD3 H 1 1.695 0.021 . 2 . . . . 28 LYS HD3 . 18399 1 298 . 1 1 34 34 LYS CA C 13 61.510 0.218 . 1 . . . . 28 LYS CA . 18399 1 299 . 1 1 34 34 LYS CB C 13 31.848 0.065 . 1 . . . . 28 LYS CB . 18399 1 300 . 1 1 34 34 LYS CG C 13 27.841 0.000 . 1 . . . . 28 LYS CG . 18399 1 301 . 1 1 34 34 LYS CD C 13 29.947 0.000 . 1 . . . . 28 LYS CD . 18399 1 302 . 1 1 34 34 LYS N N 15 119.471 0.050 . 1 . . . . 28 LYS N . 18399 1 303 . 1 1 35 35 GLY H H 1 8.096 0.012 . 1 . . . . 29 GLY H . 18399 1 304 . 1 1 35 35 GLY HA2 H 1 3.908 0.013 . 2 . . . . 29 GLY HA2 . 18399 1 305 . 1 1 35 35 GLY CA C 13 47.042 0.142 . 1 . . . . 29 GLY CA . 18399 1 306 . 1 1 35 35 GLY N N 15 106.034 0.065 . 1 . . . . 29 GLY N . 18399 1 307 . 1 1 36 36 LYS H H 1 7.704 0.021 . 1 . . . . 30 LYS H . 18399 1 308 . 1 1 36 36 LYS HA H 1 4.237 0.015 . 1 . . . . 30 LYS HA . 18399 1 309 . 1 1 36 36 LYS HB2 H 1 1.929 0.018 . 2 . . . . 30 LYS HB2 . 18399 1 310 . 1 1 36 36 LYS HB3 H 1 2.192 0.018 . 2 . . . . 30 LYS HB3 . 18399 1 311 . 1 1 36 36 LYS HG2 H 1 1.679 0.017 . 2 . . . . 30 LYS HG2 . 18399 1 312 . 1 1 36 36 LYS HG3 H 1 1.679 0.017 . 2 . . . . 30 LYS HG3 . 18399 1 313 . 1 1 36 36 LYS HD2 H 1 1.335 0.017 . 2 . . . . 30 LYS HD2 . 18399 1 314 . 1 1 36 36 LYS HD3 H 1 1.335 0.017 . 2 . . . . 30 LYS HD3 . 18399 1 315 . 1 1 36 36 LYS CA C 13 57.342 0.139 . 1 . . . . 30 LYS CA . 18399 1 316 . 1 1 36 36 LYS CB C 13 30.533 0.082 . 1 . . . . 30 LYS CB . 18399 1 317 . 1 1 36 36 LYS CG C 13 24.154 0.000 . 1 . . . . 30 LYS CG . 18399 1 318 . 1 1 36 36 LYS CD C 13 27.674 0.000 . 1 . . . . 30 LYS CD . 18399 1 319 . 1 1 36 36 LYS N N 15 121.196 0.021 . 1 . . . . 30 LYS N . 18399 1 320 . 1 1 37 37 LEU H H 1 7.948 0.012 . 1 . . . . 31 LEU H . 18399 1 321 . 1 1 37 37 LEU HA H 1 4.295 0.006 . 1 . . . . 31 LEU HA . 18399 1 322 . 1 1 37 37 LEU HB2 H 1 1.191 0.022 . 2 . . . . 31 LEU HB2 . 18399 1 323 . 1 1 37 37 LEU HB3 H 1 2.052 0.027 . 2 . . . . 31 LEU HB3 . 18399 1 324 . 1 1 37 37 LEU HD11 H 1 0.798 0.009 . 2 . . . . 31 LEU HD11 . 18399 1 325 . 1 1 37 37 LEU HD12 H 1 0.798 0.009 . 2 . . . . 31 LEU HD12 . 18399 1 326 . 1 1 37 37 LEU HD13 H 1 0.798 0.009 . 2 . . . . 31 LEU HD13 . 18399 1 327 . 1 1 37 37 LEU CA C 13 57.282 0.276 . 1 . . . . 31 LEU CA . 18399 1 328 . 1 1 37 37 LEU CB C 13 42.192 0.119 . 1 . . . . 31 LEU CB . 18399 1 329 . 1 1 37 37 LEU CG C 13 27.207 0.000 . 1 . . . . 31 LEU CG . 18399 1 330 . 1 1 37 37 LEU N N 15 121.657 0.032 . 1 . . . . 31 LEU N . 18399 1 331 . 1 1 38 38 GLU H H 1 8.714 0.015 . 1 . . . . 32 GLU H . 18399 1 332 . 1 1 38 38 GLU HA H 1 4.354 0.008 . 1 . . . . 32 GLU HA . 18399 1 333 . 1 1 38 38 GLU HB2 H 1 2.187 0.020 . 2 . . . . 32 GLU HB2 . 18399 1 334 . 1 1 38 38 GLU HB3 H 1 2.287 0.000 . 2 . . . . 32 GLU HB3 . 18399 1 335 . 1 1 38 38 GLU HG2 H 1 1.928 0.000 . 2 . . . . 32 GLU HG2 . 18399 1 336 . 1 1 38 38 GLU HG3 H 1 1.928 0.000 . 2 . . . . 32 GLU HG3 . 18399 1 337 . 1 1 38 38 GLU CA C 13 59.304 0.271 . 1 . . . . 32 GLU CA . 18399 1 338 . 1 1 38 38 GLU CB C 13 29.339 0.190 . 1 . . . . 32 GLU CB . 18399 1 339 . 1 1 38 38 GLU CG C 13 35.942 0.000 . 1 . . . . 32 GLU CG . 18399 1 340 . 1 1 38 38 GLU N N 15 123.295 0.030 . 1 . . . . 32 GLU N . 18399 1 341 . 1 1 39 39 GLU H H 1 7.470 0.017 . 1 . . . . 33 GLU H . 18399 1 342 . 1 1 39 39 GLU HA H 1 3.986 0.019 . 1 . . . . 33 GLU HA . 18399 1 343 . 1 1 39 39 GLU HB2 H 1 2.160 0.011 . 2 . . . . 33 GLU HB2 . 18399 1 344 . 1 1 39 39 GLU HB3 H 1 2.408 0.015 . 2 . . . . 33 GLU HB3 . 18399 1 345 . 1 1 39 39 GLU CA C 13 59.142 0.174 . 1 . . . . 33 GLU CA . 18399 1 346 . 1 1 39 39 GLU CB C 13 29.602 0.096 . 1 . . . . 33 GLU CB . 18399 1 347 . 1 1 39 39 GLU CG C 13 36.014 0.000 . 1 . . . . 33 GLU CG . 18399 1 348 . 1 1 39 39 GLU N N 15 118.296 0.029 . 1 . . . . 33 GLU N . 18399 1 349 . 1 1 40 40 SER H H 1 8.054 0.010 . 1 . . . . 34 SER H . 18399 1 350 . 1 1 40 40 SER HB2 H 1 3.919 0.004 . 2 . . . . 34 SER HB2 . 18399 1 351 . 1 1 40 40 SER HB3 H 1 4.252 0.022 . 2 . . . . 34 SER HB3 . 18399 1 352 . 1 1 40 40 SER CA C 13 61.150 0.114 . 1 . . . . 34 SER CA . 18399 1 353 . 1 1 40 40 SER CB C 13 63.578 0.072 . 1 . . . . 34 SER CB . 18399 1 354 . 1 1 40 40 SER N N 15 112.266 0.039 . 1 . . . . 34 SER N . 18399 1 355 . 1 1 41 41 GLU H H 1 8.908 0.014 . 1 . . . . 35 GLU H . 18399 1 356 . 1 1 41 41 GLU HA H 1 4.367 0.021 . 1 . . . . 35 GLU HA . 18399 1 357 . 1 1 41 41 GLU HB2 H 1 1.777 0.015 . 2 . . . . 35 GLU HB2 . 18399 1 358 . 1 1 41 41 GLU HB3 H 1 2.246 0.011 . 2 . . . . 35 GLU HB3 . 18399 1 359 . 1 1 41 41 GLU HG2 H 1 2.052 0.021 . 2 . . . . 35 GLU HG2 . 18399 1 360 . 1 1 41 41 GLU HG3 H 1 2.347 0.000 . 2 . . . . 35 GLU HG3 . 18399 1 361 . 1 1 41 41 GLU CA C 13 55.056 0.182 . 1 . . . . 35 GLU CA . 18399 1 362 . 1 1 41 41 GLU CB C 13 30.544 0.039 . 1 . . . . 35 GLU CB . 18399 1 363 . 1 1 41 41 GLU CG C 13 36.868 0.000 . 1 . . . . 35 GLU CG . 18399 1 364 . 1 1 41 41 GLU N N 15 116.449 0.047 . 1 . . . . 35 GLU N . 18399 1 365 . 1 1 42 42 GLY H H 1 7.930 0.014 . 1 . . . . 36 GLY H . 18399 1 366 . 1 1 42 42 GLY HA2 H 1 3.899 0.014 . 2 . . . . 36 GLY HA2 . 18399 1 367 . 1 1 42 42 GLY HA3 H 1 3.899 0.014 . 2 . . . . 36 GLY HA3 . 18399 1 368 . 1 1 42 42 GLY CA C 13 46.424 0.199 . 1 . . . . 36 GLY CA . 18399 1 369 . 1 1 42 42 GLY N N 15 108.168 0.037 . 1 . . . . 36 GLY N . 18399 1 370 . 1 1 43 43 ILE H H 1 6.446 0.016 . 1 . . . . 37 ILE H . 18399 1 371 . 1 1 43 43 ILE CA C 13 56.730 0.000 . 1 . . . . 37 ILE CA . 18399 1 372 . 1 1 43 43 ILE CB C 13 41.219 0.000 . 1 . . . . 37 ILE CB . 18399 1 373 . 1 1 43 43 ILE N N 15 120.326 0.033 . 1 . . . . 37 ILE N . 18399 1 374 . 1 1 44 44 PRO HA H 1 4.176 0.016 . 1 . . . . 38 PRO HA . 18399 1 375 . 1 1 44 44 PRO HB2 H 1 1.881 0.032 . 2 . . . . 38 PRO HB2 . 18399 1 376 . 1 1 44 44 PRO HB3 H 1 2.290 0.020 . 2 . . . . 38 PRO HB3 . 18399 1 377 . 1 1 44 44 PRO HG2 H 1 2.018 0.001 . 2 . . . . 38 PRO HG2 . 18399 1 378 . 1 1 44 44 PRO HG3 H 1 2.018 0.001 . 2 . . . . 38 PRO HG3 . 18399 1 379 . 1 1 44 44 PRO HD2 H 1 3.564 0.000 . 2 . . . . 38 PRO HD2 . 18399 1 380 . 1 1 44 44 PRO HD3 H 1 3.848 0.000 . 2 . . . . 38 PRO HD3 . 18399 1 381 . 1 1 44 44 PRO CA C 13 63.018 0.149 . 1 . . . . 38 PRO CA . 18399 1 382 . 1 1 44 44 PRO CB C 13 32.159 0.153 . 1 . . . . 38 PRO CB . 18399 1 383 . 1 1 44 44 PRO CG C 13 27.645 0.000 . 1 . . . . 38 PRO CG . 18399 1 384 . 1 1 44 44 PRO CD C 13 50.462 0.000 . 1 . . . . 38 PRO CD . 18399 1 385 . 1 1 45 45 GLY H H 1 9.228 0.015 . 1 . . . . 39 GLY H . 18399 1 386 . 1 1 45 45 GLY HA2 H 1 3.579 0.019 . 2 . . . . 39 GLY HA2 . 18399 1 387 . 1 1 45 45 GLY HA3 H 1 3.873 0.018 . 2 . . . . 39 GLY HA3 . 18399 1 388 . 1 1 45 45 GLY CA C 13 47.606 0.072 . 1 . . . . 39 GLY CA . 18399 1 389 . 1 1 45 45 GLY N N 15 111.710 0.044 . 1 . . . . 39 GLY N . 18399 1 390 . 1 1 46 46 ASN H H 1 8.325 0.011 . 1 . . . . 40 ASN H . 18399 1 391 . 1 1 46 46 ASN HA H 1 4.512 0.022 . 1 . . . . 40 ASN HA . 18399 1 392 . 1 1 46 46 ASN HB2 H 1 2.765 0.016 . 2 . . . . 40 ASN HB2 . 18399 1 393 . 1 1 46 46 ASN HB3 H 1 2.985 0.019 . 2 . . . . 40 ASN HB3 . 18399 1 394 . 1 1 46 46 ASN CA C 13 54.473 0.181 . 1 . . . . 40 ASN CA . 18399 1 395 . 1 1 46 46 ASN CB C 13 36.510 0.081 . 1 . . . . 40 ASN CB . 18399 1 396 . 1 1 46 46 ASN N N 15 114.967 0.060 . 1 . . . . 40 ASN N . 18399 1 397 . 1 1 47 47 MET H H 1 8.247 0.012 . 1 . . . . 41 MET H . 18399 1 398 . 1 1 47 47 MET HA H 1 4.557 0.015 . 1 . . . . 41 MET HA . 18399 1 399 . 1 1 47 47 MET HB2 H 1 1.994 0.004 . 2 . . . . 41 MET HB2 . 18399 1 400 . 1 1 47 47 MET HB3 H 1 2.344 0.009 . 2 . . . . 41 MET HB3 . 18399 1 401 . 1 1 47 47 MET HG2 H 1 2.453 0.000 . 2 . . . . 41 MET HG2 . 18399 1 402 . 1 1 47 47 MET HG3 H 1 2.535 0.032 . 2 . . . . 41 MET HG3 . 18399 1 403 . 1 1 47 47 MET CA C 13 54.886 0.205 . 1 . . . . 41 MET CA . 18399 1 404 . 1 1 47 47 MET CB C 13 32.632 0.029 . 1 . . . . 41 MET CB . 18399 1 405 . 1 1 47 47 MET CG C 13 32.280 0.000 . 1 . . . . 41 MET CG . 18399 1 406 . 1 1 47 47 MET N N 15 118.446 0.048 . 1 . . . . 41 MET N . 18399 1 407 . 1 1 48 48 ILE H H 1 7.422 0.014 . 1 . . . . 42 ILE H . 18399 1 408 . 1 1 48 48 ILE HA H 1 4.096 0.023 . 1 . . . . 42 ILE HA . 18399 1 409 . 1 1 48 48 ILE HB H 1 1.848 0.020 . 1 . . . . 42 ILE HB . 18399 1 410 . 1 1 48 48 ILE HG21 H 1 0.740 0.028 . 1 . . . . 42 ILE HG21 . 18399 1 411 . 1 1 48 48 ILE HG22 H 1 0.740 0.028 . 1 . . . . 42 ILE HG22 . 18399 1 412 . 1 1 48 48 ILE HG23 H 1 0.740 0.028 . 1 . . . . 42 ILE HG23 . 18399 1 413 . 1 1 48 48 ILE HD11 H 1 0.562 0.028 . 1 . . . . 42 ILE HD11 . 18399 1 414 . 1 1 48 48 ILE HD12 H 1 0.562 0.028 . 1 . . . . 42 ILE HD12 . 18399 1 415 . 1 1 48 48 ILE HD13 H 1 0.562 0.028 . 1 . . . . 42 ILE HD13 . 18399 1 416 . 1 1 48 48 ILE CA C 13 62.749 0.033 . 1 . . . . 42 ILE CA . 18399 1 417 . 1 1 48 48 ILE CB C 13 39.436 0.170 . 1 . . . . 42 ILE CB . 18399 1 418 . 1 1 48 48 ILE CG1 C 13 27.773 0.000 . 1 . . . . 42 ILE CG1 . 18399 1 419 . 1 1 48 48 ILE CG2 C 13 17.816 0.000 . 1 . . . . 42 ILE CG2 . 18399 1 420 . 1 1 48 48 ILE N N 15 119.569 0.040 . 1 . . . . 42 ILE N . 18399 1 421 . 1 1 49 49 ARG H H 1 8.967 0.014 . 1 . . . . 43 ARG H . 18399 1 422 . 1 1 49 49 ARG HA H 1 4.580 0.023 . 1 . . . . 43 ARG HA . 18399 1 423 . 1 1 49 49 ARG HB2 H 1 1.625 0.012 . 2 . . . . 43 ARG HB2 . 18399 1 424 . 1 1 49 49 ARG HB3 H 1 1.758 0.013 . 2 . . . . 43 ARG HB3 . 18399 1 425 . 1 1 49 49 ARG HG2 H 1 1.552 0.000 . 2 . . . . 43 ARG HG2 . 18399 1 426 . 1 1 49 49 ARG HG3 H 1 1.552 0.000 . 2 . . . . 43 ARG HG3 . 18399 1 427 . 1 1 49 49 ARG HD2 H 1 3.045 0.012 . 2 . . . . 43 ARG HD2 . 18399 1 428 . 1 1 49 49 ARG HD3 H 1 3.045 0.012 . 2 . . . . 43 ARG HD3 . 18399 1 429 . 1 1 49 49 ARG CA C 13 53.962 0.099 . 1 . . . . 43 ARG CA . 18399 1 430 . 1 1 49 49 ARG CB C 13 31.029 0.058 . 1 . . . . 43 ARG CB . 18399 1 431 . 1 1 49 49 ARG CG C 13 27.195 0.000 . 1 . . . . 43 ARG CG . 18399 1 432 . 1 1 49 49 ARG CD C 13 43.112 0.000 . 1 . . . . 43 ARG CD . 18399 1 433 . 1 1 49 49 ARG N N 15 127.179 0.032 . 1 . . . . 43 ARG N . 18399 1 434 . 1 1 50 50 LEU H H 1 8.603 0.012 . 1 . . . . 44 LEU H . 18399 1 435 . 1 1 50 50 LEU HA H 1 5.407 0.012 . 1 . . . . 44 LEU HA . 18399 1 436 . 1 1 50 50 LEU HB2 H 1 1.066 0.005 . 2 . . . . 44 LEU HB2 . 18399 1 437 . 1 1 50 50 LEU HB3 H 1 1.430 0.023 . 2 . . . . 44 LEU HB3 . 18399 1 438 . 1 1 50 50 LEU HD11 H 1 0.698 0.008 . 2 . . . . 44 LEU HD11 . 18399 1 439 . 1 1 50 50 LEU HD12 H 1 0.698 0.008 . 2 . . . . 44 LEU HD12 . 18399 1 440 . 1 1 50 50 LEU HD13 H 1 0.698 0.008 . 2 . . . . 44 LEU HD13 . 18399 1 441 . 1 1 50 50 LEU CA C 13 52.695 0.250 . 1 . . . . 44 LEU CA . 18399 1 442 . 1 1 50 50 LEU CB C 13 46.655 0.333 . 1 . . . . 44 LEU CB . 18399 1 443 . 1 1 50 50 LEU CG C 13 26.527 0.000 . 1 . . . . 44 LEU CG . 18399 1 444 . 1 1 50 50 LEU CD2 C 13 23.810 0.000 . 2 . . . . 44 LEU CD2 . 18399 1 445 . 1 1 50 50 LEU N N 15 122.639 0.030 . 1 . . . . 44 LEU N . 18399 1 446 . 1 1 51 51 VAL H H 1 8.960 0.013 . 1 . . . . 45 VAL H . 18399 1 447 . 1 1 51 51 VAL HA H 1 4.708 0.015 . 1 . . . . 45 VAL HA . 18399 1 448 . 1 1 51 51 VAL HB H 1 1.834 0.016 . 1 . . . . 45 VAL HB . 18399 1 449 . 1 1 51 51 VAL HG11 H 1 0.715 0.020 . 2 . . . . 45 VAL HG11 . 18399 1 450 . 1 1 51 51 VAL HG12 H 1 0.715 0.020 . 2 . . . . 45 VAL HG12 . 18399 1 451 . 1 1 51 51 VAL HG13 H 1 0.715 0.020 . 2 . . . . 45 VAL HG13 . 18399 1 452 . 1 1 51 51 VAL CA C 13 60.583 0.146 . 1 . . . . 45 VAL CA . 18399 1 453 . 1 1 51 51 VAL CB C 13 34.601 0.154 . 1 . . . . 45 VAL CB . 18399 1 454 . 1 1 51 51 VAL CG1 C 13 20.996 0.000 . 2 . . . . 45 VAL CG1 . 18399 1 455 . 1 1 51 51 VAL N N 15 121.931 0.044 . 1 . . . . 45 VAL N . 18399 1 456 . 1 1 52 52 TYR H H 1 8.879 0.016 . 1 . . . . 46 TYR H . 18399 1 457 . 1 1 52 52 TYR HA H 1 5.089 0.015 . 1 . . . . 46 TYR HA . 18399 1 458 . 1 1 52 52 TYR HB2 H 1 2.566 0.026 . 2 . . . . 46 TYR HB2 . 18399 1 459 . 1 1 52 52 TYR HB3 H 1 2.608 0.013 . 2 . . . . 46 TYR HB3 . 18399 1 460 . 1 1 52 52 TYR CA C 13 56.075 0.180 . 1 . . . . 46 TYR CA . 18399 1 461 . 1 1 52 52 TYR CB C 13 41.669 0.193 . 1 . . . . 46 TYR CB . 18399 1 462 . 1 1 52 52 TYR N N 15 126.384 0.034 . 1 . . . . 46 TYR N . 18399 1 463 . 1 1 53 53 GLN H H 1 9.323 0.014 . 1 . . . . 47 GLN H . 18399 1 464 . 1 1 53 53 GLN HA H 1 3.656 0.017 . 1 . . . . 47 GLN HA . 18399 1 465 . 1 1 53 53 GLN HB2 H 1 1.634 0.029 . 2 . . . . 47 GLN HB2 . 18399 1 466 . 1 1 53 53 GLN HB3 H 1 1.882 0.016 . 2 . . . . 47 GLN HB3 . 18399 1 467 . 1 1 53 53 GLN HG2 H 1 1.177 0.015 . 2 . . . . 47 GLN HG2 . 18399 1 468 . 1 1 53 53 GLN HG3 H 1 1.177 0.015 . 2 . . . . 47 GLN HG3 . 18399 1 469 . 1 1 53 53 GLN CA C 13 56.274 0.154 . 1 . . . . 47 GLN CA . 18399 1 470 . 1 1 53 53 GLN CB C 13 25.441 0.080 . 1 . . . . 47 GLN CB . 18399 1 471 . 1 1 53 53 GLN CG C 13 32.889 0.000 . 1 . . . . 47 GLN CG . 18399 1 472 . 1 1 53 53 GLN N N 15 127.041 0.037 . 1 . . . . 47 GLN N . 18399 1 473 . 1 1 54 54 GLY H H 1 8.358 0.012 . 1 . . . . 48 GLY H . 18399 1 474 . 1 1 54 54 GLY HA2 H 1 3.423 0.016 . 2 . . . . 48 GLY HA2 . 18399 1 475 . 1 1 54 54 GLY HA3 H 1 4.065 0.015 . 2 . . . . 48 GLY HA3 . 18399 1 476 . 1 1 54 54 GLY CA C 13 45.373 0.109 . 1 . . . . 48 GLY CA . 18399 1 477 . 1 1 54 54 GLY N N 15 102.991 0.074 . 1 . . . . 48 GLY N . 18399 1 478 . 1 1 55 55 LYS H H 1 7.819 0.015 . 1 . . . . 49 LYS H . 18399 1 479 . 1 1 55 55 LYS HA H 1 4.617 0.019 . 1 . . . . 49 LYS HA . 18399 1 480 . 1 1 55 55 LYS HB2 H 1 1.446 0.020 . 2 . . . . 49 LYS HB2 . 18399 1 481 . 1 1 55 55 LYS HB3 H 1 1.852 0.025 . 2 . . . . 49 LYS HB3 . 18399 1 482 . 1 1 55 55 LYS HE2 H 1 3.096 0.000 . 2 . . . . 49 LYS HE2 . 18399 1 483 . 1 1 55 55 LYS HE3 H 1 3.053 0.001 . 2 . . . . 49 LYS HE3 . 18399 1 484 . 1 1 55 55 LYS CA C 13 54.340 0.228 . 1 . . . . 49 LYS CA . 18399 1 485 . 1 1 55 55 LYS CB C 13 34.201 0.079 . 1 . . . . 49 LYS CB . 18399 1 486 . 1 1 55 55 LYS CG C 13 24.153 0.000 . 1 . . . . 49 LYS CG . 18399 1 487 . 1 1 55 55 LYS CD C 13 29.026 0.000 . 1 . . . . 49 LYS CD . 18399 1 488 . 1 1 55 55 LYS N N 15 121.595 0.032 . 1 . . . . 49 LYS N . 18399 1 489 . 1 1 56 56 GLN H H 1 8.757 0.012 . 1 . . . . 50 GLN H . 18399 1 490 . 1 1 56 56 GLN HA H 1 4.585 0.021 . 1 . . . . 50 GLN HA . 18399 1 491 . 1 1 56 56 GLN HB2 H 1 1.993 0.015 . 2 . . . . 50 GLN HB2 . 18399 1 492 . 1 1 56 56 GLN HB3 H 1 2.320 0.018 . 2 . . . . 50 GLN HB3 . 18399 1 493 . 1 1 56 56 GLN CA C 13 55.778 0.030 . 1 . . . . 50 GLN CA . 18399 1 494 . 1 1 56 56 GLN CB C 13 28.701 0.194 . 1 . . . . 50 GLN CB . 18399 1 495 . 1 1 56 56 GLN CG C 13 34.664 0.000 . 1 . . . . 50 GLN CG . 18399 1 496 . 1 1 56 56 GLN N N 15 122.484 0.068 . 1 . . . . 50 GLN N . 18399 1 497 . 1 1 57 57 LEU H H 1 8.442 0.012 . 1 . . . . 51 LEU H . 18399 1 498 . 1 1 57 57 LEU HA H 1 4.287 0.019 . 1 . . . . 51 LEU HA . 18399 1 499 . 1 1 57 57 LEU HB2 H 1 0.999 0.008 . 2 . . . . 51 LEU HB2 . 18399 1 500 . 1 1 57 57 LEU HB3 H 1 1.363 0.017 . 2 . . . . 51 LEU HB3 . 18399 1 501 . 1 1 57 57 LEU HG H 1 1.272 0.004 . 1 . . . . 51 LEU HG . 18399 1 502 . 1 1 57 57 LEU CA C 13 54.139 0.139 . 1 . . . . 51 LEU CA . 18399 1 503 . 1 1 57 57 LEU CB C 13 42.225 0.132 . 1 . . . . 51 LEU CB . 18399 1 504 . 1 1 57 57 LEU CD1 C 13 25.107 0.000 . 2 . . . . 51 LEU CD1 . 18399 1 505 . 1 1 57 57 LEU CD2 C 13 20.660 0.000 . 2 . . . . 51 LEU CD2 . 18399 1 506 . 1 1 57 57 LEU N N 15 125.130 0.016 . 1 . . . . 51 LEU N . 18399 1 507 . 1 1 58 58 GLU H H 1 8.125 0.012 . 1 . . . . 52 GLU H . 18399 1 508 . 1 1 58 58 GLU HA H 1 4.459 0.012 . 1 . . . . 52 GLU HA . 18399 1 509 . 1 1 58 58 GLU HB2 H 1 1.951 0.016 . 2 . . . . 52 GLU HB2 . 18399 1 510 . 1 1 58 58 GLU HB3 H 1 2.241 0.000 . 2 . . . . 52 GLU HB3 . 18399 1 511 . 1 1 58 58 GLU HG2 H 1 2.296 0.011 . 2 . . . . 52 GLU HG2 . 18399 1 512 . 1 1 58 58 GLU HG3 H 1 2.296 0.011 . 2 . . . . 52 GLU HG3 . 18399 1 513 . 1 1 58 58 GLU CA C 13 56.110 0.182 . 1 . . . . 52 GLU CA . 18399 1 514 . 1 1 58 58 GLU CB C 13 31.046 0.162 . 1 . . . . 52 GLU CB . 18399 1 515 . 1 1 58 58 GLU CG C 13 36.202 0.000 . 1 . . . . 52 GLU CG . 18399 1 516 . 1 1 58 58 GLU N N 15 122.548 0.049 . 1 . . . . 52 GLU N . 18399 1 517 . 1 1 59 59 ASP H H 1 8.346 0.012 . 1 . . . . 53 ASP H . 18399 1 518 . 1 1 59 59 ASP HA H 1 4.145 0.017 . 1 . . . . 53 ASP HA . 18399 1 519 . 1 1 59 59 ASP HB2 H 1 2.571 0.019 . 2 . . . . 53 ASP HB2 . 18399 1 520 . 1 1 59 59 ASP HB3 H 1 2.571 0.019 . 2 . . . . 53 ASP HB3 . 18399 1 521 . 1 1 59 59 ASP CA C 13 57.699 0.166 . 1 . . . . 53 ASP CA . 18399 1 522 . 1 1 59 59 ASP CB C 13 41.011 0.149 . 1 . . . . 53 ASP CB . 18399 1 523 . 1 1 59 59 ASP N N 15 122.235 0.065 . 1 . . . . 53 ASP N . 18399 1 524 . 1 1 60 60 GLU H H 1 8.756 0.012 . 1 . . . . 54 GLU H . 18399 1 525 . 1 1 60 60 GLU HA H 1 4.315 0.014 . 1 . . . . 54 GLU HA . 18399 1 526 . 1 1 60 60 GLU HB2 H 1 2.009 0.017 . 2 . . . . 54 GLU HB2 . 18399 1 527 . 1 1 60 60 GLU HB3 H 1 2.126 0.020 . 2 . . . . 54 GLU HB3 . 18399 1 528 . 1 1 60 60 GLU HG2 H 1 2.266 0.000 . 2 . . . . 54 GLU HG2 . 18399 1 529 . 1 1 60 60 GLU HG3 H 1 2.266 0.000 . 2 . . . . 54 GLU HG3 . 18399 1 530 . 1 1 60 60 GLU CA C 13 57.336 0.118 . 1 . . . . 54 GLU CA . 18399 1 531 . 1 1 60 60 GLU CB C 13 29.042 0.286 . 1 . . . . 54 GLU CB . 18399 1 532 . 1 1 60 60 GLU CG C 13 36.296 0.000 . 1 . . . . 54 GLU CG . 18399 1 533 . 1 1 60 60 GLU N N 15 113.128 0.038 . 1 . . . . 54 GLU N . 18399 1 534 . 1 1 61 61 LYS H H 1 7.677 0.012 . 1 . . . . 55 LYS H . 18399 1 535 . 1 1 61 61 LYS HA H 1 4.251 0.021 . 1 . . . . 55 LYS HA . 18399 1 536 . 1 1 61 61 LYS HB2 H 1 1.861 0.009 . 2 . . . . 55 LYS HB2 . 18399 1 537 . 1 1 61 61 LYS HB3 H 1 2.306 0.013 . 2 . . . . 55 LYS HB3 . 18399 1 538 . 1 1 61 61 LYS HG2 H 1 1.353 0.009 . 2 . . . . 55 LYS HG2 . 18399 1 539 . 1 1 61 61 LYS HG3 H 1 1.544 0.000 . 2 . . . . 55 LYS HG3 . 18399 1 540 . 1 1 61 61 LYS HD2 H 1 1.384 0.013 . 2 . . . . 55 LYS HD2 . 18399 1 541 . 1 1 61 61 LYS HD3 H 1 1.384 0.013 . 2 . . . . 55 LYS HD3 . 18399 1 542 . 1 1 61 61 LYS HE2 H 1 2.819 0.000 . 2 . . . . 55 LYS HE2 . 18399 1 543 . 1 1 61 61 LYS HE3 H 1 2.819 0.000 . 2 . . . . 55 LYS HE3 . 18399 1 544 . 1 1 61 61 LYS CA C 13 55.957 0.162 . 1 . . . . 55 LYS CA . 18399 1 545 . 1 1 61 61 LYS CB C 13 32.944 0.269 . 1 . . . . 55 LYS CB . 18399 1 546 . 1 1 61 61 LYS CG C 13 26.160 0.000 . 1 . . . . 55 LYS CG . 18399 1 547 . 1 1 61 61 LYS CD C 13 28.973 0.000 . 1 . . . . 55 LYS CD . 18399 1 548 . 1 1 61 61 LYS CE C 13 42.383 0.000 . 1 . . . . 55 LYS CE . 18399 1 549 . 1 1 61 61 LYS N N 15 119.869 0.049 . 1 . . . . 55 LYS N . 18399 1 550 . 1 1 62 62 ARG H H 1 8.797 0.012 . 1 . . . . 56 ARG H . 18399 1 551 . 1 1 62 62 ARG HA H 1 4.724 0.016 . 1 . . . . 56 ARG HA . 18399 1 552 . 1 1 62 62 ARG HB2 H 1 1.719 0.000 . 2 . . . . 56 ARG HB2 . 18399 1 553 . 1 1 62 62 ARG HB3 H 1 1.587 0.016 . 2 . . . . 56 ARG HB3 . 18399 1 554 . 1 1 62 62 ARG HG2 H 1 1.162 0.000 . 2 . . . . 56 ARG HG2 . 18399 1 555 . 1 1 62 62 ARG HG3 H 1 0.835 0.009 . 2 . . . . 56 ARG HG3 . 18399 1 556 . 1 1 62 62 ARG HD2 H 1 3.129 0.017 . 2 . . . . 56 ARG HD2 . 18399 1 557 . 1 1 62 62 ARG HD3 H 1 3.330 0.018 . 2 . . . . 56 ARG HD3 . 18399 1 558 . 1 1 62 62 ARG CB C 13 31.120 0.090 . 1 . . . . 56 ARG CB . 18399 1 559 . 1 1 62 62 ARG CG C 13 43.428 0.000 . 1 . . . . 56 ARG CG . 18399 1 560 . 1 1 62 62 ARG N N 15 117.724 0.083 . 1 . . . . 56 ARG N . 18399 1 561 . 1 1 63 63 LEU H H 1 8.728 0.009 . 1 . . . . 57 LEU H . 18399 1 562 . 1 1 63 63 LEU HA H 1 4.038 0.011 . 1 . . . . 57 LEU HA . 18399 1 563 . 1 1 63 63 LEU HB2 H 1 1.388 0.013 . 2 . . . . 57 LEU HB2 . 18399 1 564 . 1 1 63 63 LEU HB3 H 1 1.896 0.012 . 2 . . . . 57 LEU HB3 . 18399 1 565 . 1 1 63 63 LEU HG H 1 1.595 0.008 . 1 . . . . 57 LEU HG . 18399 1 566 . 1 1 63 63 LEU HD11 H 1 0.789 0.005 . 2 . . . . 57 LEU HD11 . 18399 1 567 . 1 1 63 63 LEU HD12 H 1 0.789 0.005 . 2 . . . . 57 LEU HD12 . 18399 1 568 . 1 1 63 63 LEU HD13 H 1 0.789 0.005 . 2 . . . . 57 LEU HD13 . 18399 1 569 . 1 1 63 63 LEU CA C 13 59.424 0.262 . 1 . . . . 57 LEU CA . 18399 1 570 . 1 1 63 63 LEU CB C 13 40.398 0.128 . 1 . . . . 57 LEU CB . 18399 1 571 . 1 1 63 63 LEU CD1 C 13 25.789 0.000 . 2 . . . . 57 LEU CD1 . 18399 1 572 . 1 1 63 63 LEU N N 15 123.223 0.039 . 1 . . . . 57 LEU N . 18399 1 573 . 1 1 64 64 LYS H H 1 8.681 0.010 . 1 . . . . 58 LYS H . 18399 1 574 . 1 1 64 64 LYS HA H 1 4.409 0.013 . 1 . . . . 58 LYS HA . 18399 1 575 . 1 1 64 64 LYS HB2 H 1 1.601 0.026 . 2 . . . . 58 LYS HB2 . 18399 1 576 . 1 1 64 64 LYS HB3 H 1 1.951 0.014 . 2 . . . . 58 LYS HB3 . 18399 1 577 . 1 1 64 64 LYS HG2 H 1 1.182 0.018 . 2 . . . . 58 LYS HG2 . 18399 1 578 . 1 1 64 64 LYS HG3 H 1 1.326 0.000 . 2 . . . . 58 LYS HG3 . 18399 1 579 . 1 1 64 64 LYS HE2 H 1 2.788 0.000 . 2 . . . . 58 LYS HE2 . 18399 1 580 . 1 1 64 64 LYS HE3 H 1 2.788 0.000 . 2 . . . . 58 LYS HE3 . 18399 1 581 . 1 1 64 64 LYS CA C 13 57.834 0.165 . 1 . . . . 58 LYS CA . 18399 1 582 . 1 1 64 64 LYS CB C 13 31.124 0.070 . 1 . . . . 58 LYS CB . 18399 1 583 . 1 1 64 64 LYS CG C 13 23.285 0.000 . 1 . . . . 58 LYS CG . 18399 1 584 . 1 1 64 64 LYS CD C 13 29.708 0.000 . 1 . . . . 58 LYS CD . 18399 1 585 . 1 1 64 64 LYS CE C 13 41.229 0.000 . 1 . . . . 58 LYS CE . 18399 1 586 . 1 1 64 64 LYS N N 15 114.073 0.039 . 1 . . . . 58 LYS N . 18399 1 587 . 1 1 65 65 ASP H H 1 7.862 0.015 . 1 . . . . 59 ASP H . 18399 1 588 . 1 1 65 65 ASP HA H 1 4.419 0.021 . 1 . . . . 59 ASP HA . 18399 1 589 . 1 1 65 65 ASP HB2 H 1 2.736 0.016 . 2 . . . . 59 ASP HB2 . 18399 1 590 . 1 1 65 65 ASP HB3 H 1 2.429 0.016 . 2 . . . . 59 ASP HB3 . 18399 1 591 . 1 1 65 65 ASP CA C 13 56.506 0.242 . 1 . . . . 59 ASP CA . 18399 1 592 . 1 1 65 65 ASP CB C 13 40.048 0.087 . 1 . . . . 59 ASP CB . 18399 1 593 . 1 1 65 65 ASP N N 15 120.640 0.034 . 1 . . . . 59 ASP N . 18399 1 594 . 1 1 66 66 TYR H H 1 7.545 0.017 . 1 . . . . 60 TYR H . 18399 1 595 . 1 1 66 66 TYR HA H 1 4.616 0.018 . 1 . . . . 60 TYR HA . 18399 1 596 . 1 1 66 66 TYR HB2 H 1 2.635 0.016 . 2 . . . . 60 TYR HB2 . 18399 1 597 . 1 1 66 66 TYR HB3 H 1 3.206 0.017 . 2 . . . . 60 TYR HB3 . 18399 1 598 . 1 1 66 66 TYR CA C 13 58.150 0.104 . 1 . . . . 60 TYR CA . 18399 1 599 . 1 1 66 66 TYR CB C 13 39.329 0.125 . 1 . . . . 60 TYR CB . 18399 1 600 . 1 1 66 66 TYR N N 15 117.775 0.064 . 1 . . . . 60 TYR N . 18399 1 601 . 1 1 67 67 GLN H H 1 8.155 0.011 . 1 . . . . 61 GLN H . 18399 1 602 . 1 1 67 67 GLN HA H 1 4.183 0.017 . 1 . . . . 61 GLN HA . 18399 1 603 . 1 1 67 67 GLN HB2 H 1 2.181 0.018 . 2 . . . . 61 GLN HB2 . 18399 1 604 . 1 1 67 67 GLN HB3 H 1 2.181 0.018 . 2 . . . . 61 GLN HB3 . 18399 1 605 . 1 1 67 67 GLN HG2 H 1 2.318 0.000 . 2 . . . . 61 GLN HG2 . 18399 1 606 . 1 1 67 67 GLN HG3 H 1 2.318 0.000 . 2 . . . . 61 GLN HG3 . 18399 1 607 . 1 1 67 67 GLN CA C 13 56.617 0.000 . 1 . . . . 61 GLN CA . 18399 1 608 . 1 1 67 67 GLN CB C 13 26.578 0.226 . 1 . . . . 61 GLN CB . 18399 1 609 . 1 1 67 67 GLN CG C 13 34.106 0.000 . 1 . . . . 61 GLN CG . 18399 1 610 . 1 1 67 67 GLN N N 15 117.450 0.049 . 1 . . . . 61 GLN N . 18399 1 611 . 1 1 68 68 MET H H 1 7.997 0.012 . 1 . . . . 62 MET H . 18399 1 612 . 1 1 68 68 MET HA H 1 4.470 0.014 . 1 . . . . 62 MET HA . 18399 1 613 . 1 1 68 68 MET HB2 H 1 1.823 0.023 . 2 . . . . 62 MET HB2 . 18399 1 614 . 1 1 68 68 MET HG2 H 1 2.222 0.020 . 2 . . . . 62 MET HG2 . 18399 1 615 . 1 1 68 68 MET HG3 H 1 2.351 0.016 . 2 . . . . 62 MET HG3 . 18399 1 616 . 1 1 68 68 MET CA C 13 55.767 0.034 . 1 . . . . 62 MET CA . 18399 1 617 . 1 1 68 68 MET CB C 13 33.105 0.152 . 1 . . . . 62 MET CB . 18399 1 618 . 1 1 68 68 MET CG C 13 31.870 0.000 . 1 . . . . 62 MET CG . 18399 1 619 . 1 1 68 68 MET N N 15 120.193 0.029 . 1 . . . . 62 MET N . 18399 1 620 . 1 1 69 69 SER H H 1 8.073 0.006 . 1 . . . . 63 SER H . 18399 1 621 . 1 1 69 69 SER HA H 1 4.530 0.015 . 1 . . . . 63 SER HA . 18399 1 622 . 1 1 69 69 SER HB2 H 1 3.890 0.001 . 2 . . . . 63 SER HB2 . 18399 1 623 . 1 1 69 69 SER HB3 H 1 3.867 0.017 . 2 . . . . 63 SER HB3 . 18399 1 624 . 1 1 69 69 SER CA C 13 57.654 0.154 . 1 . . . . 63 SER CA . 18399 1 625 . 1 1 69 69 SER CB C 13 64.803 0.122 . 1 . . . . 63 SER CB . 18399 1 626 . 1 1 69 69 SER N N 15 116.722 0.036 . 1 . . . . 63 SER N . 18399 1 627 . 1 1 70 70 ALA H H 1 8.492 0.012 . 1 . . . . 64 ALA H . 18399 1 628 . 1 1 70 70 ALA HA H 1 4.256 0.017 . 1 . . . . 64 ALA HA . 18399 1 629 . 1 1 70 70 ALA HB1 H 1 1.435 0.016 . 1 . . . . 64 ALA HB1 . 18399 1 630 . 1 1 70 70 ALA HB2 H 1 1.435 0.016 . 1 . . . . 64 ALA HB2 . 18399 1 631 . 1 1 70 70 ALA HB3 H 1 1.435 0.016 . 1 . . . . 64 ALA HB3 . 18399 1 632 . 1 1 70 70 ALA CA C 13 53.566 0.140 . 1 . . . . 64 ALA CA . 18399 1 633 . 1 1 70 70 ALA CB C 13 18.242 0.159 . 1 . . . . 64 ALA CB . 18399 1 634 . 1 1 70 70 ALA N N 15 123.286 0.093 . 1 . . . . 64 ALA N . 18399 1 635 . 1 1 71 71 GLY H H 1 8.907 0.015 . 1 . . . . 65 GLY H . 18399 1 636 . 1 1 71 71 GLY HA2 H 1 3.539 0.019 . 2 . . . . 65 GLY HA2 . 18399 1 637 . 1 1 71 71 GLY HA3 H 1 4.145 0.021 . 2 . . . . 65 GLY HA3 . 18399 1 638 . 1 1 71 71 GLY CA C 13 45.127 0.177 . 1 . . . . 65 GLY CA . 18399 1 639 . 1 1 71 71 GLY N N 15 110.294 0.023 . 1 . . . . 65 GLY N . 18399 1 640 . 1 1 72 72 ALA H H 1 7.572 0.016 . 1 . . . . 66 ALA H . 18399 1 641 . 1 1 72 72 ALA HA H 1 4.288 0.012 . 1 . . . . 66 ALA HA . 18399 1 642 . 1 1 72 72 ALA HB1 H 1 1.338 0.017 . 1 . . . . 66 ALA HB1 . 18399 1 643 . 1 1 72 72 ALA HB2 H 1 1.338 0.017 . 1 . . . . 66 ALA HB2 . 18399 1 644 . 1 1 72 72 ALA HB3 H 1 1.338 0.017 . 1 . . . . 66 ALA HB3 . 18399 1 645 . 1 1 72 72 ALA CA C 13 52.876 0.218 . 1 . . . . 66 ALA CA . 18399 1 646 . 1 1 72 72 ALA CB C 13 19.826 0.122 . 1 . . . . 66 ALA CB . 18399 1 647 . 1 1 72 72 ALA N N 15 123.229 0.029 . 1 . . . . 66 ALA N . 18399 1 648 . 1 1 73 73 THR H H 1 8.253 0.013 . 1 . . . . 67 THR H . 18399 1 649 . 1 1 73 73 THR HA H 1 5.060 0.016 . 1 . . . . 67 THR HA . 18399 1 650 . 1 1 73 73 THR HB H 1 3.954 0.007 . 1 . . . . 67 THR HB . 18399 1 651 . 1 1 73 73 THR HG21 H 1 0.917 0.012 . 1 . . . . 67 THR HG21 . 18399 1 652 . 1 1 73 73 THR HG22 H 1 0.917 0.012 . 1 . . . . 67 THR HG22 . 18399 1 653 . 1 1 73 73 THR HG23 H 1 0.917 0.012 . 1 . . . . 67 THR HG23 . 18399 1 654 . 1 1 73 73 THR CA C 13 61.493 0.129 . 1 . . . . 67 THR CA . 18399 1 655 . 1 1 73 73 THR CB C 13 71.022 0.156 . 1 . . . . 67 THR CB . 18399 1 656 . 1 1 73 73 THR CG2 C 13 20.605 0.000 . 1 . . . . 67 THR CG2 . 18399 1 657 . 1 1 73 73 THR N N 15 116.161 0.034 . 1 . . . . 67 THR N . 18399 1 658 . 1 1 74 74 PHE H H 1 8.989 0.012 . 1 . . . . 68 PHE H . 18399 1 659 . 1 1 74 74 PHE HA H 1 5.369 0.017 . 1 . . . . 68 PHE HA . 18399 1 660 . 1 1 74 74 PHE HB3 H 1 3.002 0.015 . 2 . . . . 68 PHE HB3 . 18399 1 661 . 1 1 74 74 PHE CA C 13 54.013 0.080 . 1 . . . . 68 PHE CA . 18399 1 662 . 1 1 74 74 PHE CB C 13 40.893 0.253 . 1 . . . . 68 PHE CB . 18399 1 663 . 1 1 74 74 PHE N N 15 124.518 0.051 . 1 . . . . 68 PHE N . 18399 1 664 . 1 1 75 75 HIS H H 1 9.300 0.013 . 1 . . . . 69 HIS H . 18399 1 665 . 1 1 75 75 HIS HA H 1 5.146 0.015 . 1 . . . . 69 HIS HA . 18399 1 666 . 1 1 75 75 HIS HB2 H 1 2.939 0.023 . 2 . . . . 69 HIS HB2 . 18399 1 667 . 1 1 75 75 HIS HB3 H 1 3.110 0.022 . 2 . . . . 69 HIS HB3 . 18399 1 668 . 1 1 75 75 HIS CA C 13 56.131 0.149 . 1 . . . . 69 HIS CA . 18399 1 669 . 1 1 75 75 HIS CB C 13 31.584 0.075 . 1 . . . . 69 HIS CB . 18399 1 670 . 1 1 75 75 HIS N N 15 120.835 0.053 . 1 . . . . 69 HIS N . 18399 1 671 . 1 1 76 76 MET H H 1 8.563 0.013 . 1 . . . . 70 MET H . 18399 1 672 . 1 1 76 76 MET HA H 1 5.199 0.015 . 1 . . . . 70 MET HA . 18399 1 673 . 1 1 76 76 MET HB2 H 1 1.566 0.020 . 2 . . . . 70 MET HB2 . 18399 1 674 . 1 1 76 76 MET HB3 H 1 1.881 0.012 . 2 . . . . 70 MET HB3 . 18399 1 675 . 1 1 76 76 MET HG2 H 1 2.083 0.014 . 2 . . . . 70 MET HG2 . 18399 1 676 . 1 1 76 76 MET HG3 H 1 2.372 0.016 . 2 . . . . 70 MET HG3 . 18399 1 677 . 1 1 76 76 MET CA C 13 54.683 0.256 . 1 . . . . 70 MET CA . 18399 1 678 . 1 1 76 76 MET CB C 13 35.426 0.208 . 1 . . . . 70 MET CB . 18399 1 679 . 1 1 76 76 MET CG C 13 32.185 0.000 . 1 . . . . 70 MET CG . 18399 1 680 . 1 1 76 76 MET CE C 13 27.061 0.000 . 1 . . . . 70 MET CE . 18399 1 681 . 1 1 76 76 MET N N 15 122.731 0.034 . 1 . . . . 70 MET N . 18399 1 682 . 1 1 77 77 VAL H H 1 9.118 0.017 . 1 . . . . 71 VAL H . 18399 1 683 . 1 1 77 77 VAL HA H 1 4.277 0.015 . 1 . . . . 71 VAL HA . 18399 1 684 . 1 1 77 77 VAL HB H 1 1.845 0.024 . 1 . . . . 71 VAL HB . 18399 1 685 . 1 1 77 77 VAL HG11 H 1 0.798 0.018 . 2 . . . . 71 VAL HG11 . 18399 1 686 . 1 1 77 77 VAL HG12 H 1 0.798 0.018 . 2 . . . . 71 VAL HG12 . 18399 1 687 . 1 1 77 77 VAL HG13 H 1 0.798 0.018 . 2 . . . . 71 VAL HG13 . 18399 1 688 . 1 1 77 77 VAL CA C 13 61.343 0.207 . 1 . . . . 71 VAL CA . 18399 1 689 . 1 1 77 77 VAL CB C 13 34.656 0.085 . 1 . . . . 71 VAL CB . 18399 1 690 . 1 1 77 77 VAL CG2 C 13 20.651 0.000 . 2 . . . . 71 VAL CG2 . 18399 1 691 . 1 1 77 77 VAL N N 15 128.801 0.070 . 1 . . . . 71 VAL N . 18399 1 692 . 1 1 78 78 VAL H H 1 8.544 0.011 . 1 . . . . 72 VAL H . 18399 1 693 . 1 1 78 78 VAL HA H 1 4.618 0.016 . 1 . . . . 72 VAL HA . 18399 1 694 . 1 1 78 78 VAL HB H 1 1.962 0.022 . 1 . . . . 72 VAL HB . 18399 1 695 . 1 1 78 78 VAL HG11 H 1 0.896 0.018 . 2 . . . . 72 VAL HG11 . 18399 1 696 . 1 1 78 78 VAL HG12 H 1 0.896 0.018 . 2 . . . . 72 VAL HG12 . 18399 1 697 . 1 1 78 78 VAL HG13 H 1 0.896 0.018 . 2 . . . . 72 VAL HG13 . 18399 1 698 . 1 1 78 78 VAL CA C 13 61.485 0.210 . 1 . . . . 72 VAL CA . 18399 1 699 . 1 1 78 78 VAL CB C 13 32.311 0.140 . 1 . . . . 72 VAL CB . 18399 1 700 . 1 1 78 78 VAL CG1 C 13 21.494 0.000 . 2 . . . . 72 VAL CG1 . 18399 1 701 . 1 1 78 78 VAL N N 15 125.528 0.052 . 1 . . . . 72 VAL N . 18399 1 702 . 1 1 79 79 ALA H H 1 8.957 0.008 . 1 . . . . 73 ALA H . 18399 1 703 . 1 1 79 79 ALA HA H 1 4.323 0.000 . 1 . . . . 73 ALA HA . 18399 1 704 . 1 1 79 79 ALA HB1 H 1 1.304 0.018 . 1 . . . . 73 ALA HB1 . 18399 1 705 . 1 1 79 79 ALA HB2 H 1 1.304 0.018 . 1 . . . . 73 ALA HB2 . 18399 1 706 . 1 1 79 79 ALA HB3 H 1 1.304 0.018 . 1 . . . . 73 ALA HB3 . 18399 1 707 . 1 1 79 79 ALA CA C 13 51.746 0.094 . 1 . . . . 73 ALA CA . 18399 1 708 . 1 1 79 79 ALA CB C 13 19.445 0.189 . 1 . . . . 73 ALA CB . 18399 1 709 . 1 1 79 79 ALA N N 15 131.664 0.027 . 1 . . . . 73 ALA N . 18399 1 710 . 1 1 80 80 LEU H H 1 8.193 0.004 . 1 . . . . 74 LEU H . 18399 1 711 . 1 1 80 80 LEU HA H 1 4.298 0.000 . 1 . . . . 74 LEU HA . 18399 1 712 . 1 1 80 80 LEU HB2 H 1 1.574 0.014 . 2 . . . . 74 LEU HB2 . 18399 1 713 . 1 1 80 80 LEU HD11 H 1 0.877 0.024 . 2 . . . . 74 LEU HD11 . 18399 1 714 . 1 1 80 80 LEU HD12 H 1 0.877 0.024 . 2 . . . . 74 LEU HD12 . 18399 1 715 . 1 1 80 80 LEU HD13 H 1 0.877 0.024 . 2 . . . . 74 LEU HD13 . 18399 1 716 . 1 1 80 80 LEU CA C 13 55.191 0.069 . 1 . . . . 74 LEU CA . 18399 1 717 . 1 1 80 80 LEU CB C 13 42.356 0.102 . 1 . . . . 74 LEU CB . 18399 1 718 . 1 1 80 80 LEU CG C 13 27.318 0.000 . 1 . . . . 74 LEU CG . 18399 1 719 . 1 1 80 80 LEU CD1 C 13 24.347 0.000 . 2 . . . . 74 LEU CD1 . 18399 1 720 . 1 1 80 80 LEU N N 15 120.722 0.032 . 1 . . . . 74 LEU N . 18399 1 721 . 1 1 81 81 ARG H H 1 8.213 0.004 . 1 . . . . 75 ARG H . 18399 1 722 . 1 1 81 81 ARG HA H 1 4.294 0.018 . 1 . . . . 75 ARG HA . 18399 1 723 . 1 1 81 81 ARG HB2 H 1 1.587 0.018 . 2 . . . . 75 ARG HB2 . 18399 1 724 . 1 1 81 81 ARG HB3 H 1 1.791 0.027 . 2 . . . . 75 ARG HB3 . 18399 1 725 . 1 1 81 81 ARG HD2 H 1 3.170 0.026 . 2 . . . . 75 ARG HD2 . 18399 1 726 . 1 1 81 81 ARG HD3 H 1 3.170 0.026 . 2 . . . . 75 ARG HD3 . 18399 1 727 . 1 1 81 81 ARG CA C 13 55.604 0.121 . 1 . . . . 75 ARG CA . 18399 1 728 . 1 1 81 81 ARG CB C 13 30.856 0.085 . 1 . . . . 75 ARG CB . 18399 1 729 . 1 1 81 81 ARG CG C 13 27.125 0.000 . 1 . . . . 75 ARG CG . 18399 1 730 . 1 1 81 81 ARG CD C 13 43.378 0.000 . 1 . . . . 75 ARG CD . 18399 1 731 . 1 1 81 81 ARG N N 15 120.902 0.020 . 1 . . . . 75 ARG N . 18399 1 732 . 1 1 82 82 ALA H H 1 8.471 0.007 . 1 . . . . 76 ALA H . 18399 1 733 . 1 1 82 82 ALA HA H 1 4.278 0.018 . 1 . . . . 76 ALA HA . 18399 1 734 . 1 1 82 82 ALA HB1 H 1 1.371 0.016 . 1 . . . . 76 ALA HB1 . 18399 1 735 . 1 1 82 82 ALA HB2 H 1 1.371 0.016 . 1 . . . . 76 ALA HB2 . 18399 1 736 . 1 1 82 82 ALA HB3 H 1 1.371 0.016 . 1 . . . . 76 ALA HB3 . 18399 1 737 . 1 1 82 82 ALA CA C 13 52.478 0.188 . 1 . . . . 76 ALA CA . 18399 1 738 . 1 1 82 82 ALA CB C 13 18.813 0.041 . 1 . . . . 76 ALA CB . 18399 1 739 . 1 1 82 82 ALA N N 15 125.815 0.043 . 1 . . . . 76 ALA N . 18399 1 740 . 1 1 83 83 GLY H H 1 8.506 0.011 . 1 . . . . 77 GLY H . 18399 1 741 . 1 1 83 83 GLY HA2 H 1 3.949 0.015 . 2 . . . . 77 GLY HA2 . 18399 1 742 . 1 1 83 83 GLY HA3 H 1 4.172 0.000 . 2 . . . . 77 GLY HA3 . 18399 1 743 . 1 1 83 83 GLY CA C 13 45.336 0.152 . 1 . . . . 77 GLY CA . 18399 1 744 . 1 1 83 83 GLY N N 15 109.110 0.037 . 1 . . . . 77 GLY N . 18399 1 745 . 1 1 84 84 CYS H H 1 7.847 0.006 . 1 . . . . 78 CYS H . 18399 1 746 . 1 1 84 84 CYS CA C 13 59.869 0.000 . 1 . . . . 78 CYS CA . 18399 1 747 . 1 1 84 84 CYS CB C 13 28.666 0.000 . 1 . . . . 78 CYS CB . 18399 1 748 . 1 1 84 84 CYS N N 15 122.756 0.019 . 1 . . . . 78 CYS N . 18399 1 stop_ save_